N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide

C12H22N2O3 — CID 160982630

IUPACN,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCO.C=CC(=O)N(C)C
InChIInChI=1S/C7H13NO2.C5H9NO/c1-6(2)7(10)8-4-3-5-9;1-4-5(7)6(2)3/h9H,1,3-5H2,2H3,(H,8,10);4H,1H2,2-3H3
InChIKeySZSCXBSTWLIYRP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.32
Rot. Bonds5

About N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide

N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide (PubChem CID 160982630) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide
PubChem CID160982630
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCO.C=CC(=O)N(C)C
InChIInChI=1S/C7H13NO2.C5H9NO/c1-6(2)7(10)8-4-3-5-9;1-4-5(7)6(2)3/h9H,1,3-5H2,2H3,(H,8,10);4H,1H2,2-3H3
InChIKeySZSCXBSTWLIYRP-UHFFFAOYSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-Hydroxypropyl)-2-methylprop-2-enamide
CID 9793811
N-(1,3-dihydroxypropyl) methacrylamide
CID 18783191
Ethenol;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 87126587
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide
CID 159721978
2-Hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 172681
2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-propylprop-2-enamide
CID 172623669
N-[3-[bis(1-hydroxyethyl)amino]propyl]prop-2-enamide
CID 9855905
[2-Hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
CID 10214553
N-(3-hydroxy-2,2-dimethylpropyl)-2-methylprop-2-enamide
CID 13531437
2,3-Dihydroxypropyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 14093558
N-(1-hydroxy-2,2-dimethylpropyl)-2-methylprop-2-enamide
CID 17809090
N-(3-hydroxypentyl)-2-methylprop-2-enamide
CID 17809092

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide?
The IUPAC name of N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide (CID 160982630) is N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide?
The canonical SMILES for N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCO.C=CC(=O)N(C)C.
What is the InChIKey of N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide?
The InChIKey is SZSCXBSTWLIYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C5H9NO/c1-6(2)7(10)8-4-3-5-9;1-4-5(7)6(2)3/h9H,1,3-5H2,2H3,(H,8,10);4H,1H2,2-3H3.
What are the key properties of N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide?
N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide has a molecular weight of 242.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 160982630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).