2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C23H26N2O4 — CID 17233524

IUPAC2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C23H26N2O4/c26-21(15-10-16-6-2-1-3-7-16)24-17-11-13-18(14-12-17)25-22(27)19-8-4-5-9-20(19)23(28)29/h1-3,6-7,11-14,19-20H,4-5,8-10,15H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyXZDXWULFDXNORK-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.09
Rot. Bonds7

About 2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 17233524) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID17233524
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C23H26N2O4/c26-21(15-10-16-6-2-1-3-7-16)24-17-11-13-18(14-12-17)25-22(27)19-8-4-5-9-20(19)23(28)29/h1-3,6-7,11-14,19-20H,4-5,8-10,15H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyXZDXWULFDXNORK-UHFFFAOYSA-N
XLogP4.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[[4-(butanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 26257020
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7299399
cis-(1R,2S)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484556
cis-(1S,2R)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484548
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
cis-(1S,2R)-2-[[(4-anilino-4-oxobutanoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 11839040
trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7366556
cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 17233524) is 2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XZDXWULFDXNORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-21(15-10-16-6-2-1-3-7-16)24-17-11-13-18(14-12-17)25-22(27)19-8-4-5-9-20(19)23(28)29/h1-3,6-7,11-14,19-20H,4-5,8-10,15H2,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 17233524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).