2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid

C24H23NO4 — CID 162669252

IUPAC2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid
SMILESCOCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-29-16-15-23(26)25(20-7-3-2-4-8-20)17-18-11-13-19(14-12-18)21-9-5-6-10-22(21)24(27)28/h2-14H,15-17H2,1H3,(H,27,28)
InChIKeySBARXSAOEFLDIP-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.62
Rot. Bonds8

About 2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid

2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid (PubChem CID 162669252) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid
PubChem CID162669252
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid
SMILESCOCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-29-16-15-23(26)25(20-7-3-2-4-8-20)17-18-11-13-19(14-12-18)21-9-5-6-10-22(21)24(27)28/h2-14H,15-17H2,1H3,(H,27,28)
InChIKeySBARXSAOEFLDIP-UHFFFAOYSA-N
XLogP4.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(N-pentanoylanilino)methyl]phenyl]benzoic acid
CID 159323400
2-[4-[[N-(2-methylpropanoyl)anilino]methyl]phenyl]benzoic acid
CID 162647867
2-[4-(2-methoxyethyl)phenyl]benzoic acid
CID 61025269
2-[4-[[[2-(4-methoxyphenyl)acetyl]-[3-(4-methoxyphenyl)propyl]amino]methyl]phenyl]benzoic acid
CID 66774846
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
2-[3-methoxypropanoyl(methyl)amino]benzoic acid
CID 55023389
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-phenylpropanamide
CID 62590595
2-[4-[[butanoyl-[(1S)-1-carboxy-2-methylpropyl]amino]methyl]phenyl]benzoic acid
CID 58153852
N-benzyl-5-hydroxy-N-phenylpentanamide
CID 79194764
2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid
CID 113425626
N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
CID 18090249

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid (CID 162669252) is 2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid is COCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid?
The InChIKey is SBARXSAOEFLDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-29-16-15-23(26)25(20-7-3-2-4-8-20)17-18-11-13-19(14-12-18)21-9-5-6-10-22(21)24(27)28/h2-14H,15-17H2,1H3,(H,27,28).
What are the key properties of 2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid?
2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid has a molecular weight of 389.45 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[N-(3-methoxypropanoyl)anilino]methyl]phenyl]benzoic acid is sourced from PubChem (CID 162669252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).