4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid

C18H21NO2 — CID 60839271

IUPAC4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid
SMILESCc1ccc(CN(CCCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-15-9-11-16(12-10-15)14-19(13-5-8-18(20)21)17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,21)
InChIKeyNUGVWLZDCFKJAB-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.87
Rot. Bonds7

About 4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid

4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid (PubChem CID 60839271) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid
PubChem CID60839271
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid
SMILESCc1ccc(CN(CCCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-15-9-11-16(12-10-15)14-19(13-5-8-18(20)21)17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,21)
InChIKeyNUGVWLZDCFKJAB-UHFFFAOYSA-N
XLogP3.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[N-[(4-iodophenyl)methyl]anilino]butanoic acid
CID 65478869
4-(N-ethylanilino)butanoic acid
CID 11390560
4-[N-(furan-3-ylmethyl)anilino]butanoic acid
CID 65057027
3-[N-[(4-fluorophenyl)methyl]-3-methylanilino]propanoic acid
CID 82317416
3-[3-methoxy-N-[(4-methylphenyl)methyl]anilino]propanoic acid
CID 82317360
4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603
4-[(4-methylphenyl)methyl-prop-2-enylamino]butanoic acid
CID 134701133
pentanedioic acid;toluene
CID 159822689
3-(N-benzylanilino)propyl acetate
CID 54183872
3-[4-methyl-N-(thiophen-3-ylmethyl)anilino]propanoic acid
CID 54926079
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
CID 103410825

Frequently Asked Questions

What is the IUPAC name of 4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid?
The IUPAC name of 4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid (CID 60839271) is 4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid.
What is the SMILES notation for 4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid?
The canonical SMILES for 4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid is Cc1ccc(CN(CCCC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid?
The InChIKey is NUGVWLZDCFKJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-15-9-11-16(12-10-15)14-19(13-5-8-18(20)21)17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,21).
What are the key properties of 4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid?
4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid is sourced from PubChem (CID 60839271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).