N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide

C13H24N2O3 — CID 159474766

IUPACN-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC.C=C(C)C(=O)NCCCO
InChIInChI=1S/C7H13NO2.C6H11NO/c1-6(2)7(10)8-4-3-5-9;1-4-7-6(8)5(2)3/h9H,1,3-5H2,2H3,(H,8,10);2,4H2,1,3H3,(H,7,8)
InChIKeyLWFYBXIMBWKWRC-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.76
Rot. Bonds6

About N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide

N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide (PubChem CID 159474766) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide
PubChem CID159474766
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC.C=C(C)C(=O)NCCCO
InChIInChI=1S/C7H13NO2.C6H11NO/c1-6(2)7(10)8-4-3-5-9;1-4-7-6(8)5(2)3/h9H,1,3-5H2,2H3,(H,8,10);2,4H2,1,3H3,(H,7,8)
InChIKeyLWFYBXIMBWKWRC-UHFFFAOYSA-N
XLogP0.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
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'}

Analyze N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Hydroxyethyl)methacrylamide
CID 10197699
N-(3-Hydroxypropyl)-2-methylprop-2-enamide
CID 9793811
N-(1-Hydroxybutan-2-yl)-2-methylprop-2-enamide
CID 12051523
N,N'-(2-hydroxypropane-1,3-diyl)bis(2-methylprop-2-enamide)
CID 20205156
N-(1,3-dihydroxypropyl) methacrylamide
CID 18783191
Ethenol;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 87126587
4-Methacrylamido-2-methyl-2-butanol
CID 129721298
2-Hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 172681
2-Hydroxy-N1,N1,N1,N3,N3-pentamethyl-N3-{3-[(2-methylacryloyl)amino]propyl}propane-1,3-bis(aminium)
CID 13177837
2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-propylprop-2-enamide
CID 172623669
N,N'-1,4-butanediylbis(2-methyl-2-propenamide)
CID 11680199
N-(4-hydroxybutyl)-2-methyl-2-propenamide
CID 18967950

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide?
The IUPAC name of N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide (CID 159474766) is N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC.C=C(C)C(=O)NCCCO.
What is the InChIKey of N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide?
The InChIKey is LWFYBXIMBWKWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C6H11NO/c1-6(2)7(10)8-4-3-5-9;1-4-7-6(8)5(2)3/h9H,1,3-5H2,2H3,(H,8,10);2,4H2,1,3H3,(H,7,8).
What are the key properties of N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide?
N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide has a molecular weight of 256.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylprop-2-enamide;N-(3-hydroxypropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 159474766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).