N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide

C15H30N2O — CID 113226839

IUPACN-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NCC1CCCC(C)C1
InChIInChI=1S/C15H30N2O/c1-5-12(3)17-15(18)13(4)16-10-14-8-6-7-11(2)9-14/h11-14,16H,5-10H2,1-4H3,(H,17,18)
InChIKeyNQWGOLNOFDKXGG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.71
Rot. Bonds6

About N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide

N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide (PubChem CID 113226839) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide
PubChem CID113226839
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide
SMILESCCC(C)NC(=O)C(C)NCC1CCCC(C)C1
InChIInChI=1S/C15H30N2O/c1-5-12(3)17-15(18)13(4)16-10-14-8-6-7-11(2)9-14/h11-14,16H,5-10H2,1-4H3,(H,17,18)
InChIKeyNQWGOLNOFDKXGG-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide 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

2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide
CID 106131934
N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide
CID 64741063
N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]propanamide
CID 81040006
2-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107411961
(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81392098
N-butan-2-yl-2-[2-(cyclopropylmethoxy)ethylamino]propanamide
CID 113233538
N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide
CID 81396140
2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide
CID 106132906
2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 103795901
N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine
CID 115881238
2-[(2-methylcyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 107417924
N-cyclopentyl-2-[(3-hydroxycyclohexyl)methylamino]propanamide
CID 106132630

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide (CID 113226839) is N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide is CCC(C)NC(=O)C(C)NCC1CCCC(C)C1.
What is the InChIKey of N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide?
The InChIKey is NQWGOLNOFDKXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-12(3)17-15(18)13(4)16-10-14-8-6-7-11(2)9-14/h11-14,16H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide?
N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide has a molecular weight of 254.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide is sourced from PubChem (CID 113226839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).