2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid

C19H21NO5 — CID 119113378

IUPAC2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
SMILESCOc1cc(CCC(=O)NC(C(=O)O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C19H21NO5/c1-24-15-10-13(11-16(12-15)25-2)8-9-17(21)20-18(19(22)23)14-6-4-3-5-7-14/h3-7,10-12,18H,8-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyPHHFGSNACAWTAZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.58
Rot. Bonds8

About 2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid

2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid (PubChem CID 119113378) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
PubChem CID119113378
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
SMILESCOc1cc(CCC(=O)NC(C(=O)O)c2ccccc2)cc(OC)c1
InChIInChI=1S/C19H21NO5/c1-24-15-10-13(11-16(12-15)25-2)8-9-17(21)20-18(19(22)23)14-6-4-3-5-7-14/h3-7,10-12,18H,8-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyPHHFGSNACAWTAZ-UHFFFAOYSA-N
XLogP2.58
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367695
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644
3-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218913
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
(2S)-2-(3-methoxypropanoylamino)-2-phenylacetic acid
CID 93310108
2-(butanoylamino)-2-(3-methoxyphenyl)acetic acid
CID 112508886
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 46546176
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid?
The IUPAC name of 2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid (CID 119113378) is 2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid is COc1cc(CCC(=O)NC(C(=O)O)c2ccccc2)cc(OC)c1.
What is the InChIKey of 2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid?
The InChIKey is PHHFGSNACAWTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-24-15-10-13(11-16(12-15)25-2)8-9-17(21)20-18(19(22)23)14-6-4-3-5-7-14/h3-7,10-12,18H,8-9H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid?
2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid has a molecular weight of 343.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 119113378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).