4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid

C19H21NO4 — CID 119201351

IUPAC4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid
SMILESCCOc1cccc(C(=O)NC(CCC(=O)O)c2ccccc2)c1
InChIInChI=1S/C19H21NO4/c1-2-24-16-10-6-9-15(13-16)19(23)20-17(11-12-18(21)22)14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyBTJWYWGBBQBULT-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.42
Rot. Bonds8

About 4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid

4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid (PubChem CID 119201351) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid
PubChem CID119201351
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid
SMILESCCOc1cccc(C(=O)NC(CCC(=O)O)c2ccccc2)c1
InChIInChI=1S/C19H21NO4/c1-2-24-16-10-6-9-15(13-16)19(23)20-17(11-12-18(21)22)14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyBTJWYWGBBQBULT-UHFFFAOYSA-N
XLogP3.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde
CID 159762229
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
4-[3-(4-ethoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119200943
N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide
CID 101474890
3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
CID 91023998
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 46984256
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid (CID 119201351) is 4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid is CCOc1cccc(C(=O)NC(CCC(=O)O)c2ccccc2)c1.
What is the InChIKey of 4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid?
The InChIKey is BTJWYWGBBQBULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-24-16-10-6-9-15(13-16)19(23)20-17(11-12-18(21)22)14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid?
4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).