4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H25NO4 — CID 63782975

IUPAC4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCCN(CCO)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-2-3-8-15(9-10-16)13(17)11-4-6-12(7-5-11)14(18)19/h11-12,16H,2-10H2,1H3,(H,18,19)
InChIKeyIBTIGQDILIUGPG-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.50
Rot. Bonds7

About 4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63782975) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63782975
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCCN(CCO)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-2-3-8-15(9-10-16)13(17)11-4-6-12(7-5-11)14(18)19/h11-12,16H,2-10H2,1H3,(H,18,19)
InChIKeyIBTIGQDILIUGPG-UHFFFAOYSA-N
XLogP1.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783137
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide
CID 58434361
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
CID 82323933
3-amino-N-butyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
CID 55117107
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
4-amino-N,N-dipentylcyclohexane-1-carboxamide
CID 60947028
N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
CID 63391533
3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551173
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63782975) is 4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid is CCCCN(CCO)C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is IBTIGQDILIUGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-2-3-8-15(9-10-16)13(17)11-4-6-12(7-5-11)14(18)19/h11-12,16H,2-10H2,1H3,(H,18,19).
What are the key properties of 4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).