3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide

C15H28N2O2 — CID 70287689

IUPAC3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide
SMILESCCCC(NC(C)CC)C(=O)C(=O)NC1CCCC1
InChIInChI=1S/C15H28N2O2/c1-4-8-13(16-11(3)5-2)14(18)15(19)17-12-9-6-7-10-12/h11-13,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyDKCPUXQFGQRLCI-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.17
Rot. Bonds8

About 3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide

3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide (PubChem CID 70287689) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide.

Molecular Properties

Compound Name3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide
PubChem CID70287689
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide
SMILESCCCC(NC(C)CC)C(=O)C(=O)NC1CCCC1
InChIInChI=1S/C15H28N2O2/c1-4-8-13(16-11(3)5-2)14(18)15(19)17-12-9-6-7-10-12/h11-13,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyDKCPUXQFGQRLCI-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-methylpentanamide
CID 4532030
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631930
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
(3S)-N-cyclopropyl-2-oxo-3-(prop-1-en-2-ylamino)hexanamide
CID 66813998
(3S)-N-cyclopropyl-3-(2,2-dimethylpropanoylamino)-2-oxohexanamide
CID 58973568
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
3-cyclopentyl-1-methyl-1-pentan-2-ylurea
CID 115581562
N'-butan-2-yl-N-cycloheptylpropanediamide
CID 108941808
2-(butan-2-ylamino)-N'-cyclopropylbutanediamide
CID 66431014
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835446
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831373

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide?
The IUPAC name of 3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide (CID 70287689) is 3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide.
What is the SMILES notation for 3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide?
The canonical SMILES for 3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide is CCCC(NC(C)CC)C(=O)C(=O)NC1CCCC1.
What is the InChIKey of 3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide?
The InChIKey is DKCPUXQFGQRLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-8-13(16-11(3)5-2)14(18)15(19)17-12-9-6-7-10-12/h11-13,16H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide?
3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide has a molecular weight of 268.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-N-cyclopentyl-2-oxohexanamide is sourced from PubChem (CID 70287689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).