4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid

C17H25NO2 — CID 60782540

IUPAC4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
SMILESO=C(O)CCCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO2/c19-16(20)12-7-13-18-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15,17-18H,2,5-7,10-13H2,(H,19,20)
InChIKeyFFQWZRBKBFBBSR-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.76
Rot. Bonds7

About 4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid

4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid (PubChem CID 60782540) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
PubChem CID60782540
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
SMILESO=C(O)CCCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO2/c19-16(20)12-7-13-18-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15,17-18H,2,5-7,10-13H2,(H,19,20)
InChIKeyFFQWZRBKBFBBSR-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.76
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

4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516535
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115753017
N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 43099675
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine
CID 115903696
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid?
The IUPAC name of 4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid (CID 60782540) is 4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid.
What is the SMILES notation for 4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid?
The canonical SMILES for 4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid is O=C(O)CCCNC(c1ccccc1)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid?
The InChIKey is FFQWZRBKBFBBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-16(20)12-7-13-18-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15,17-18H,2,5-7,10-13H2,(H,19,20).
What are the key properties of 4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid?
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid is sourced from PubChem (CID 60782540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).