N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide

C15H30N2O — CID 43113278

IUPACN-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide
SMILESCCCCNC(=O)C(C)NC1CCCC(C)C1C
InChIInChI=1S/C15H30N2O/c1-5-6-10-16-15(18)13(4)17-14-9-7-8-11(2)12(14)3/h11-14,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyQQJCDTIWXJUBCZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.71
Rot. Bonds6

About N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide

N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide (PubChem CID 43113278) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide
PubChem CID43113278
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide
SMILESCCCCNC(=O)C(C)NC1CCCC(C)C1C
InChIInChI=1S/C15H30N2O/c1-5-6-10-16-15(18)13(4)17-14-9-7-8-11(2)12(14)3/h11-14,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyQQJCDTIWXJUBCZ-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

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 43087479
(2S)-N-carbamoyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11939503
N-butyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)propanamide
CID 54967296
(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide
CID 11939445
2-[(2,3-dimethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 43085502
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946761
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946763
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923114
N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide
CID 79870432
1-butyl-3-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamothioylamino]thiourea
CID 8789396
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
CID 64667349

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide?
The IUPAC name of N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide (CID 43113278) is N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide.
What is the SMILES notation for N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide?
The canonical SMILES for N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide is CCCCNC(=O)C(C)NC1CCCC(C)C1C.
What is the InChIKey of N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide?
The InChIKey is QQJCDTIWXJUBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-6-10-16-15(18)13(4)17-14-9-7-8-11(2)12(14)3/h11-14,17H,5-10H2,1-4H3,(H,16,18).
What are the key properties of N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide?
N-butyl-2-[(2,3-dimethylcyclohexyl)amino]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-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide is sourced from PubChem (CID 43113278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).