2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide

C16H32N2O — CID 62405918

IUPAC2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC(C)C1CCCCC1
InChIInChI=1S/C16H32N2O/c1-5-15(6-2)18-16(19)13(4)17-12(3)14-10-8-7-9-11-14/h12-15,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyXLQSTNFZPKFEOS-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.24
Rot. Bonds7

About 2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide

2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide (PubChem CID 62405918) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide
PubChem CID62405918
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC(C)C1CCCCC1
InChIInChI=1S/C16H32N2O/c1-5-15(6-2)18-16(19)13(4)17-12(3)14-10-8-7-9-11-14/h12-15,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyXLQSTNFZPKFEOS-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide
CID 81396140
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
CID 81384429
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143
2-[[(1S)-1-cycloheptylethyl]amino]butanoic acid
CID 81392114
N-carbamoyl-2-(1-cyclohexylethylamino)propanamide
CID 62405397
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 81391633
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81393775
2-[[(1R)-1-cycloheptylethyl]amino]butanoic acid
CID 81392766

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide (CID 62405918) is 2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NC(C)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide?
The InChIKey is XLQSTNFZPKFEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-15(6-2)18-16(19)13(4)17-12(3)14-10-8-7-9-11-14/h12-15,17H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide?
2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide has a molecular weight of 268.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 62405918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).