sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide

C64H108N11NaO15S — CID 158084149

IUPACsodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide
SMILESC=C(C)C(=O)NC(C)(C)C.C=C(C)C(=O)Nc1ccccc1.C=CC(=O)N(C)C.C=CC(=O)N1CCOCC1.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)CS(=O)(=O)[O-].C=CC(=O)NCC.C=CC(=O)NCCCN(C)C.C=CC(=O)NCO.C=CC(N)=O.[Na+]
InChIInChI=1S/C10H11NO.C8H16N2O.C8H15NO.C7H13NO4S.C7H11NO2.C7H13NO.2C5H9NO.C4H7NO2.C3H5NO.Na/c1-8(2)10(12)11-9-6-4-3-5-7-9;1-4-8(11)9-6-5-7-10(2)3;1-6(2)7(10)9-8(3,4)5;1-4-6(9)8-7(2,3)5-13(10,11)12;1-2-7(9)8-3-5-10-6-4-8;1-5-6(9)8-7(2,3)4;1-4-5(7)6(2)3;1-3-5(7)6-4-2;1-2-4(7)5-3-6;1-2-3(4)5;/h3-7H,1H2,2H3,(H,11,12);4H,1,5-7H2,2-3H3,(H,9,11);1H2,2-5H3,(H,9,10);4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2H,1,3-6H2;5H,1H2,2-4H3,(H,8,9);4H,1H2,2-3H3;3H,1,4H2,2H3,(H,6,7);2,6H,1,3H2,(H,5,7);2H,1H2,(H2,4,5);/q;;;;;;;;;;+1/p-1
InChIKeyFNHSJJZNPSJGRO-UHFFFAOYSA-M
MW1326.69 g/mol
LogP1.12
Rot. Bonds20

About sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide

sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide (PubChem CID 158084149) has the molecular formula C64H108N11NaO15S and a molecular weight of 1326.69 g/mol. Its IUPAC name is sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide.

Molecular Properties

Compound Namesodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide
PubChem CID158084149
Molecular FormulaC64H108N11NaO15S
Molecular Weight1326.69 g/mol
Exact Mass1325.76
IUPAC Namesodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide
SMILESC=C(C)C(=O)NC(C)(C)C.C=C(C)C(=O)Nc1ccccc1.C=CC(=O)N(C)C.C=CC(=O)N1CCOCC1.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)CS(=O)(=O)[O-].C=CC(=O)NCC.C=CC(=O)NCCCN(C)C.C=CC(=O)NCO.C=CC(N)=O.[Na+]
InChIInChI=1S/C10H11NO.C8H16N2O.C8H15NO.C7H13NO4S.C7H11NO2.C7H13NO.2C5H9NO.C4H7NO2.C3H5NO.Na/c1-8(2)10(12)11-9-6-4-3-5-7-9;1-4-8(11)9-6-5-7-10(2)3;1-6(2)7(10)9-8(3,4)5;1-4-6(9)8-7(2,3)5-13(10,11)12;1-2-7(9)8-3-5-10-6-4-8;1-5-6(9)8-7(2,3)4;1-4-5(7)6(2)3;1-3-5(7)6-4-2;1-2-4(7)5-3-6;1-2-3(4)5;/h3-7H,1H2,2H3,(H,11,12);4H,1,5-7H2,2-3H3,(H,9,11);1H2,2-5H3,(H,9,10);4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2H,1,3-6H2;5H,1H2,2-4H3,(H,8,9);4H,1H2,2-3H3;3H,1,4H2,2H3,(H,6,7);2,6H,1,3H2,(H,5,7);2H,1H2,(H2,4,5);/q;;;;;;;;;;+1/p-1
InChIKeyFNHSJJZNPSJGRO-UHFFFAOYSA-M
XLogP1.12
TPSA377.31 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001326.69
LogP ≤ 51.12
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide with MolForge

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Related Compounds

lithium;sodium;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide;2-methyl-2-(2-methylprop-2-enoylamino)propane-1-sulfonate;2-methyl-2-(2-methylprop-2-enoylamino)propane-1-sulfonic acid;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;4-(prop-2-enoylamino)butanoic acid;3-(prop-2-enoylamino)propanoic acid
CID 161399655
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
sodium;methanol;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 175540751
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;tetramethylazanium
CID 15271536
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
N-[3-(dimethylamino)propyl]prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 175755238
sodium;hydride;phenyl 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 174882584
N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045407
N-methyl-N-(phenylcarbamoyl)morpholine-4-carboxamide
CID 12876147
N-[3-[methyl-[1-(3-phenylpropanoyl)piperidin-4-yl]sulfonylamino]propyl]prop-2-enamide
CID 89237621
1-[4-[1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-3-phenylurea
CID 54348483

Frequently Asked Questions

What is the IUPAC name of sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide?
The IUPAC name of sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide (CID 158084149) is sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide.
What is the SMILES notation for sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide?
The canonical SMILES for sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide is C=C(C)C(=O)NC(C)(C)C.C=C(C)C(=O)Nc1ccccc1.C=CC(=O)N(C)C.C=CC(=O)N1CCOCC1.C=CC(=O)NC(C)(C)C.C=CC(=O)NC(C)(C)CS(=O)(=O)[O-].C=CC(=O)NCC.C=CC(=O)NCCCN(C)C.C=CC(=O)NCO.C=CC(N)=O.[Na+].
What is the InChIKey of sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide?
The InChIKey is FNHSJJZNPSJGRO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO.C8H16N2O.C8H15NO.C7H13NO4S.C7H11NO2.C7H13NO.2C5H9NO.C4H7NO2.C3H5NO.Na/c1-8(2)10(12)11-9-6-4-3-5-7-9;1-4-8(11)9-6-5-7-10(2)3;1-6(2)7(10)9-8(3,4)5;1-4-6(9)8-7(2,3)5-13(10,11)12;1-2-7(9)8-3-5-10-6-4-8;1-5-6(9)8-7(2,3)4;1-4-5(7)6(2)3;1-3-5(7)6-4-2;1-2-4(7)5-3-6;1-2-3(4)5;/h3-7H,1H2,2H3,(H,11,12);4H,1,5-7H2,2-3H3,(H,9,11);1H2,2-5H3,(H,9,10);4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2H,1,3-6H2;5H,1H2,2-4H3,(H,8,9);4H,1H2,2-3H3;3H,1,4H2,2H3,(H,6,7);2,6H,1,3H2,(H,5,7);2H,1H2,(H2,4,5);/q;;;;;;;;;;+1/p-1.
What are the key properties of sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide?
sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide has a molecular weight of 1326.69 g/mol, XLogP of 1.12, 20 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-tert-butyl-2-methylprop-2-enamide;N-tert-butylprop-2-enamide;N-[3-(dimethylamino)propyl]prop-2-enamide;N,N-dimethylprop-2-enamide;N-ethylprop-2-enamide;N-(hydroxymethyl)prop-2-enamide;2-methyl-N-phenylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide is sourced from PubChem (CID 158084149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).