N-(3,3-dimethylbutyl)prop-2-enamide

C9H17NO — CID 59860467

IUPACN-(3,3-dimethylbutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)(C)C
InChIInChI=1S/C9H17NO/c1-5-8(11)10-7-6-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyQFMGJHPAXPTHLW-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds3

About N-(3,3-dimethylbutyl)prop-2-enamide

N-(3,3-dimethylbutyl)prop-2-enamide (PubChem CID 59860467) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)prop-2-enamide
PubChem CID59860467
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(3,3-dimethylbutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)(C)C
InChIInChI=1S/C9H17NO/c1-5-8(11)10-7-6-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyQFMGJHPAXPTHLW-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethylbutyl)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-Isobutylacrylamide
CID 17786289
N-Hexylprop-2-enamide
CID 18172794
N-butyl-4-methylpenta-2,3-dienamide
CID 11019237
N,N'-(Butane-1,4-diyl)diacrylamide
CID 11542941
N-pentylprop-2-enamide
CID 18185407
(-)-N-s-butyl-N-methyl acrylamide
CID 23517827
N-(3-methylbutyl)but-2-enamide
CID 53787313
N-(3-(Dimethylamino)-2,2-dimethylpropyl)acrylamide
CID 88388
N-(5,5-dimethylhexyl)prop-2-enamide
CID 20206
N-(2,2-dimethylpent-4-enyl)acetamide
CID 11506488

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)prop-2-enamide?
The IUPAC name of N-(3,3-dimethylbutyl)prop-2-enamide (CID 59860467) is N-(3,3-dimethylbutyl)prop-2-enamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)prop-2-enamide?
The canonical SMILES for N-(3,3-dimethylbutyl)prop-2-enamide is C=CC(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)prop-2-enamide?
The InChIKey is QFMGJHPAXPTHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(11)10-7-6-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11).
What are the key properties of N-(3,3-dimethylbutyl)prop-2-enamide?
N-(3,3-dimethylbutyl)prop-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)prop-2-enamide is sourced from PubChem (CID 59860467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).