N-(3-methylbutyl)prop-2-enamide

C8H15NO — CID 19105725

IUPACN-(3-methylbutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)C
InChIInChI=1S/C8H15NO/c1-4-8(10)9-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyDCMZFZXOXBXCRU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.33
Rot. Bonds4

About N-(3-methylbutyl)prop-2-enamide

N-(3-methylbutyl)prop-2-enamide (PubChem CID 19105725) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(3-methylbutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methylbutyl)prop-2-enamide
PubChem CID19105725
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(3-methylbutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)C
InChIInChI=1S/C8H15NO/c1-4-8(10)9-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyDCMZFZXOXBXCRU-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-methylbutyl)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-Butyl-2-propenamide
CID 642908
N-(n-Propyl) acrylamide
CID 114794
N-Ethyl acrylamide
CID 9793705
N-Allylmethacrylamide
CID 75139
n-Isobutylacrylamide
CID 17786289
(2E,8Z)-N-(3-methylbutyl)deca-2,8-dien-4,6-diynamide
CID 14015852
N-Hexylprop-2-enamide
CID 18172794
N-Butylmethacrylamide
CID 9855497
Methacrylamide, N-isobutyl-
CID 13877722
(E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide
CID 101416082
N-(2-methylpropyl)dec-2-en-4,6,8-triynamide
CID 162925459
n-s-Butylacrylamide
CID 10171451

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)prop-2-enamide?
The IUPAC name of N-(3-methylbutyl)prop-2-enamide (CID 19105725) is N-(3-methylbutyl)prop-2-enamide.
What is the SMILES notation for N-(3-methylbutyl)prop-2-enamide?
The canonical SMILES for N-(3-methylbutyl)prop-2-enamide is C=CC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)prop-2-enamide?
The InChIKey is DCMZFZXOXBXCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(10)9-6-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of N-(3-methylbutyl)prop-2-enamide?
N-(3-methylbutyl)prop-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)prop-2-enamide is sourced from PubChem (CID 19105725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).