2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid

C19H22N2O4 — CID 84556600

IUPAC2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid
SMILESCCc1ccccc1NCc1cccc(C(=O)NC(CO)C(=O)O)c1
InChIInChI=1S/C19H22N2O4/c1-2-14-7-3-4-9-16(14)20-11-13-6-5-8-15(10-13)18(23)21-17(12-22)19(24)25/h3-10,17,20,22H,2,11-12H2,1H3,(H,21,23)(H,24,25)
InChIKeyKVCJVPVQXIUTHP-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.04
Rot. Bonds8

About 2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid

2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid (PubChem CID 84556600) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid
PubChem CID84556600
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid
SMILESCCc1ccccc1NCc1cccc(C(=O)NC(CO)C(=O)O)c1
InChIInChI=1S/C19H22N2O4/c1-2-14-7-3-4-9-16(14)20-11-13-6-5-8-15(10-13)18(23)21-17(12-22)19(24)25/h3-10,17,20,22H,2,11-12H2,1H3,(H,21,23)(H,24,25)
InChIKeyKVCJVPVQXIUTHP-UHFFFAOYSA-N
XLogP2.04
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-methylbutanoic acid
CID 84556582
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
(2R)-3-hydroxy-2-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 80749917
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-4-methylbenzoic acid
CID 84554573
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide
CID 84554523
methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554562
N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556609
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid (CID 84556600) is 2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid is CCc1ccccc1NCc1cccc(C(=O)NC(CO)C(=O)O)c1.
What is the InChIKey of 2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is KVCJVPVQXIUTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-14-7-3-4-9-16(14)20-11-13-6-5-8-15(10-13)18(23)21-17(12-22)19(24)25/h3-10,17,20,22H,2,11-12H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid?
2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 342.40 g/mol, XLogP of 2.04, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 84556600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).