3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide

C11H20N2O3 — CID 168729925

IUPAC3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide
SMILESCC(O)CC(=O)NC1CCCC(C(N)=O)C1
InChIInChI=1S/C11H20N2O3/c1-7(14)5-10(15)13-9-4-2-3-8(6-9)11(12)16/h7-9,14H,2-6H2,1H3,(H2,12,16)(H,13,15)
InChIKeyGOTABPMFERBGMQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.08
Rot. Bonds4

About 3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide

3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide (PubChem CID 168729925) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide
PubChem CID168729925
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide
SMILESCC(O)CC(=O)NC1CCCC(C(N)=O)C1
InChIInChI=1S/C11H20N2O3/c1-7(14)5-10(15)13-9-4-2-3-8(6-9)11(12)16/h7-9,14H,2-6H2,1H3,(H2,12,16)(H,13,15)
InChIKeyGOTABPMFERBGMQ-UHFFFAOYSA-N
XLogP-0.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide
CID 175888912
3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide
CID 136527089
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
CID 119309150
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide
CID 89423792
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
3-(2-ethylbutylamino)cyclohexane-1-carboxamide
CID 115756932
4-amino-3-methyl-N-(3-methylcyclohexyl)butanamide
CID 81071155
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide (CID 168729925) is 3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide is CC(O)CC(=O)NC1CCCC(C(N)=O)C1.
What is the InChIKey of 3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide?
The InChIKey is GOTABPMFERBGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(14)5-10(15)13-9-4-2-3-8(6-9)11(12)16/h7-9,14H,2-6H2,1H3,(H2,12,16)(H,13,15).
What are the key properties of 3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide?
3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 168729925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).