N-(cyclohexylmethyl)-4-oxopentanamide

C12H21NO2 — CID 60637241

IUPACN-(cyclohexylmethyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-10(14)7-8-12(15)13-9-11-5-3-2-4-6-11/h11H,2-9H2,1H3,(H,13,15)
InChIKeyWTSWYMKBRURIGP-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.05
Rot. Bonds5

About N-(cyclohexylmethyl)-4-oxopentanamide

N-(cyclohexylmethyl)-4-oxopentanamide (PubChem CID 60637241) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-oxopentanamide
PubChem CID60637241
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(cyclohexylmethyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-10(14)7-8-12(15)13-9-11-5-3-2-4-6-11/h11H,2-9H2,1H3,(H,13,15)
InChIKeyWTSWYMKBRURIGP-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920
N-[(3-hydroxycyclopentyl)methyl]-4-oxopentanamide
CID 106135905
3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 119911752
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168
N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
CID 106124035
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432
N-(cyclopentylmethyl)-11-sulfanylundecanamide
CID 59137895
2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
CID 60648633

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-oxopentanamide?
The IUPAC name of N-(cyclohexylmethyl)-4-oxopentanamide (CID 60637241) is N-(cyclohexylmethyl)-4-oxopentanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-oxopentanamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-oxopentanamide is CC(=O)CCC(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-oxopentanamide?
The InChIKey is WTSWYMKBRURIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(14)7-8-12(15)13-9-11-5-3-2-4-6-11/h11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-(cyclohexylmethyl)-4-oxopentanamide?
N-(cyclohexylmethyl)-4-oxopentanamide has a molecular weight of 211.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-oxopentanamide is sourced from PubChem (CID 60637241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).