N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide

C8H15NO2 — CID 19006733

IUPACN-butan-2-yl-N-(hydroxymethyl)prop-2-enamide
SMILESC=CC(=O)N(CO)C(C)CC
InChIInChI=1S/C8H15NO2/c1-4-7(3)9(6-10)8(11)5-2/h5,7,10H,2,4,6H2,1,3H3
InChIKeyYSCNKPYCFABTJA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.75
Rot. Bonds4

About N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide

N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide (PubChem CID 19006733) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(hydroxymethyl)prop-2-enamide
PubChem CID19006733
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-butan-2-yl-N-(hydroxymethyl)prop-2-enamide
SMILESC=CC(=O)N(CO)C(C)CC
InChIInChI=1S/C8H15NO2/c1-4-7(3)9(6-10)8(11)5-2/h5,7,10H,2,4,6H2,1,3H3
InChIKeyYSCNKPYCFABTJA-UHFFFAOYSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-N-(hydroxymethyl)prop-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)-N-methylprop-2-enamide
CID 10129965
N-(s-butyl)-N-methylacrylamide
CID 20029365
N-(Methoxymethyl)-N-(propan-2-yl)prop-2-enamide
CID 71442395
N-ethyl-N-(hydroxymethyl)prop-2-enamide
CID 18366429
N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide
CID 18520794
N-tert-butyl-N-(hydroxymethyl)prop-2-enamide
CID 19006731
N-(hydroxymethyl)-N-propylprop-2-enamide
CID 19006732
N-(hydroxymethyl)-2-methyl-N-propan-2-ylprop-2-enamide
CID 20027986
N-(Hydroxymethyl)-N-(propan-2-yl)prop-2-enamide
CID 20255447
N-(1-hydroxybutan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 20255449
N-(3-hydroxypropyl)-N-methylprop-2-enamide
CID 20318661
N-ethyl-N-propan-2-ylprop-2-enamide
CID 20406316

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide?
The IUPAC name of N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide (CID 19006733) is N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide.
What is the SMILES notation for N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide?
The canonical SMILES for N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide is C=CC(=O)N(CO)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide?
The InChIKey is YSCNKPYCFABTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(3)9(6-10)8(11)5-2/h5,7,10H,2,4,6H2,1,3H3.
What are the key properties of N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide?
N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide is sourced from PubChem (CID 19006733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).