4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid

C19H26N2O4 — CID 122056610

IUPAC4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid
SMILESNC(=O)c1ccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)cc1
InChIInChI=1S/C19H26N2O4/c20-18(24)14-6-8-15(9-7-14)19(25)21-16(10-11-17(22)23)12-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-12H2,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyFGEXFMNAZRJSNB-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.72
Rot. Bonds8

About 4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid

4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid (PubChem CID 122056610) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid.

Molecular Properties

Compound Name4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid
PubChem CID122056610
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid
SMILESNC(=O)c1ccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)cc1
InChIInChI=1S/C19H26N2O4/c20-18(24)14-6-8-15(9-7-14)19(25)21-16(10-11-17(22)23)12-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-12H2,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyFGEXFMNAZRJSNB-UHFFFAOYSA-N
XLogP2.72
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 122056442
5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
CID 122056899
5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid
CID 122056780
5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 122056923
5-cyclohexyl-4-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]pentanoic acid
CID 122056814
5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 122056439
5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
CID 122056821
5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid
CID 122056451
4-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-5-cyclohexylpentanoic acid
CID 122056600
5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
CID 122056791
5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 122056687

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid?
The IUPAC name of 4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid (CID 122056610) is 4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid.
What is the SMILES notation for 4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid?
The canonical SMILES for 4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid is NC(=O)c1ccc(C(=O)NC(CCC(=O)O)CC2CCCCC2)cc1.
What is the InChIKey of 4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid?
The InChIKey is FGEXFMNAZRJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c20-18(24)14-6-8-15(9-7-14)19(25)21-16(10-11-17(22)23)12-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-12H2,(H2,20,24)(H,21,25)(H,22,23).
What are the key properties of 4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid?
4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid is sourced from PubChem (CID 122056610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).