4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid

C19H22N2O4 — CID 119173444

IUPAC4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid
SMILESCOc1cccc(Nc2ccccc2C(=O)N(C)CCCC(=O)O)c1
InChIInChI=1S/C19H22N2O4/c1-21(12-6-11-18(22)23)19(24)16-9-3-4-10-17(16)20-14-7-5-8-15(13-14)25-2/h3-5,7-10,13,20H,6,11-12H2,1-2H3,(H,22,23)
InChIKeyBLOBBOQGJJOUQJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.38
Rot. Bonds8

About 4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid

4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid (PubChem CID 119173444) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid
PubChem CID119173444
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid
SMILESCOc1cccc(Nc2ccccc2C(=O)N(C)CCCC(=O)O)c1
InChIInChI=1S/C19H22N2O4/c1-21(12-6-11-18(22)23)19(24)16-9-3-4-10-17(16)20-14-7-5-8-15(13-14)25-2/h3-5,7-10,13,20H,6,11-12H2,1-2H3,(H,22,23)
InChIKeyBLOBBOQGJJOUQJ-UHFFFAOYSA-N
XLogP3.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyanilino)benzoate
CID 6943552
2-[2-(3-methoxyanilino)phenyl]acetic acid
CID 18546395
2-(4-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 55720016
2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride
CID 120826494
N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide
CID 60609840
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid
CID 120684507
2-anilino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 31665595
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide
CID 111663042
N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112854404
3-[(2-iodo-4-methoxybenzoyl)-methylamino]propanoic acid
CID 119362866

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid (CID 119173444) is 4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid is COc1cccc(Nc2ccccc2C(=O)N(C)CCCC(=O)O)c1.
What is the InChIKey of 4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid?
The InChIKey is BLOBBOQGJJOUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-21(12-6-11-18(22)23)19(24)16-9-3-4-10-17(16)20-14-7-5-8-15(13-14)25-2/h3-5,7-10,13,20H,6,11-12H2,1-2H3,(H,22,23).
What are the key properties of 4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid?
4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid has a molecular weight of 342.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid is sourced from PubChem (CID 119173444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).