2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid

C19H21NO4 — CID 119201964

IUPAC2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)Cc1cccc(OC)c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-3-19(18(22)23,15-9-5-4-6-10-15)20-17(21)13-14-8-7-11-16(12-14)24-2/h4-12H,3,13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeySMRHNPOPBFZKBS-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.74
Rot. Bonds7

About 2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid

2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid (PubChem CID 119201964) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid
PubChem CID119201964
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)Cc1cccc(OC)c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-3-19(18(22)23,15-9-5-4-6-10-15)20-17(21)13-14-8-7-11-16(12-14)24-2/h4-12H,3,13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeySMRHNPOPBFZKBS-UHFFFAOYSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 54904477
2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid
CID 120977689
(2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid
CID 150337252
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
N-(2-amino-2-ethylbutyl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119639628
3-hydroxy-1-(3-methoxyphenyl)-3-methylpentan-2-one
CID 103446663
N-(benzenesulfonyl)-2-(3-methoxyphenyl)acetamide
CID 139754173
2-amino-N-[2-(3-methoxyphenyl)-1-phenylpropan-2-yl]acetamide
CID 15115342
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid (CID 119201964) is 2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid is CCC(NC(=O)Cc1cccc(OC)c1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid?
The InChIKey is SMRHNPOPBFZKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-19(18(22)23,15-9-5-4-6-10-15)20-17(21)13-14-8-7-11-16(12-14)24-2/h4-12H,3,13H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid?
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid is sourced from PubChem (CID 119201964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).