4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid

C18H25NO3 — CID 119170948

IUPAC4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)CC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H25NO3/c20-17(19-12-4-7-18(21)22)13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,19,20)(H,21,22)
InChIKeyNPIXSGKLSOJBIS-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.33
Rot. Bonds7

About 4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid

4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid (PubChem CID 119170948) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
PubChem CID119170948
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)CC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H25NO3/c20-17(19-12-4-7-18(21)22)13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,19,20)(H,21,22)
InChIKeyNPIXSGKLSOJBIS-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide
CID 119407911
4-[(4-phenylcyclohexyl)methylamino]butanoic acid
CID 122035940
N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide
CID 75407157
N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide
CID 119549120
4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
CID 122021606
2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
CID 119237415
5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246162
4-[(4-cyclopropylphenyl)methylamino]butanoic acid
CID 79979436
2-(4-phenylcyclohexyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453044
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 119716199
N-(4-phenylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119716224

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid (CID 119170948) is 4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid is O=C(O)CCCNC(=O)CC1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid?
The InChIKey is NPIXSGKLSOJBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-17(19-12-4-7-18(21)22)13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,19,20)(H,21,22).
What are the key properties of 4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid?
4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid has a molecular weight of 303.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 119170948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).