N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide

C15H30N2O — CID 64741063

IUPACN-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide
SMILESCCC1CCCC(NC(C)C(=O)NC(C)CC)C1
InChIInChI=1S/C15H30N2O/c1-5-11(3)16-15(18)12(4)17-14-9-7-8-13(6-2)10-14/h11-14,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyDHRBQSYUIWSHMA-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.85
Rot. Bonds6

About N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide

N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide (PubChem CID 64741063) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide
PubChem CID64741063
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide
SMILESCCC1CCCC(NC(C)C(=O)NC(C)CC)C1
InChIInChI=1S/C15H30N2O/c1-5-11(3)16-15(18)12(4)17-14-9-7-8-13(6-2)10-14/h11-14,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyDHRBQSYUIWSHMA-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 129430013
(2S)-N-[(2S)-butan-2-yl]-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 99626186
1-(azepan-1-yl)-2-[(3-ethylcyclohexyl)amino]propan-1-one
CID 64741045
(2R)-2-[(3-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 103903038
3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide
CID 115723133
N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide
CID 113226839
2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide
CID 79459315
N-(3-ethylcyclohexyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111455996
N-(3-ethylcyclohexyl)-2-piperazin-1-ylpropanamide
CID 64743330
N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide
CID 81396140
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829
3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115656026

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide (CID 64741063) is N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide is CCC1CCCC(NC(C)C(=O)NC(C)CC)C1.
What is the InChIKey of N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide?
The InChIKey is DHRBQSYUIWSHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-11(3)16-15(18)12(4)17-14-9-7-8-13(6-2)10-14/h11-14,17H,5-10H2,1-4H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide?
N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide has a molecular weight of 254.42 g/mol, XLogP of 2.85, 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-ethylcyclohexyl)amino]propanamide is sourced from PubChem (CID 64741063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).