4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid

C18H24N2O4 — CID 119229655

IUPAC4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCN(C)C(=O)c1cccc(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H24N2O4/c1-3-20(2)17(22)14-6-4-5-13(11-14)16(21)19-15-9-7-12(8-10-15)18(23)24/h4-6,11-12,15H,3,7-10H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyUJBYKJHKZGEINP-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.15
Rot. Bonds5

About 4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid

4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229655) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229655
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCN(C)C(=O)c1cccc(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C18H24N2O4/c1-3-20(2)17(22)14-6-4-5-13(11-14)16(21)19-15-9-7-12(8-10-15)18(23)24/h4-6,11-12,15H,3,7-10H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyUJBYKJHKZGEINP-UHFFFAOYSA-N
XLogP2.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678069
3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide
CID 119390450
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109050711
1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109052208
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229681
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
[3-(cyclopropylcarbamoyl)phenyl] 2-[benzoyl(methyl)amino]acetate
CID 87006539
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099
4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 162638258
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid (CID 119229655) is 4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid is CCN(C)C(=O)c1cccc(C(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is UJBYKJHKZGEINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-20(2)17(22)14-6-4-5-13(11-14)16(21)19-15-9-7-12(8-10-15)18(23)24/h4-6,11-12,15H,3,7-10H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).