2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid

C20H22N2O5 — CID 119224448

IUPAC2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid
SMILESCOc1ccc(CCC(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-27-17-9-4-14(5-10-17)6-11-18(23)22-16-7-2-15(3-8-16)12-19(24)21-13-20(25)26/h2-5,7-10H,6,11-13H2,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyIWCMSUQWAMPJEG-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.01
Rot. Bonds9

About 2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224448) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid
PubChem CID119224448
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid
SMILESCOc1ccc(CCC(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-27-17-9-4-14(5-10-17)6-11-18(23)22-16-7-2-15(3-8-16)12-19(24)21-13-20(25)26/h2-5,7-10H,6,11-13H2,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyIWCMSUQWAMPJEG-UHFFFAOYSA-N
XLogP2.01
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid with MolForge

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Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
2-(4-hydroxyphenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 122191191
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 46674282

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid (CID 119224448) is 2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid is COc1ccc(CCC(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid?
The InChIKey is IWCMSUQWAMPJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-27-17-9-4-14(5-10-17)6-11-18(23)22-16-7-2-15(3-8-16)12-19(24)21-13-20(25)26/h2-5,7-10H,6,11-13H2,1H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid has a molecular weight of 370.41 g/mol, XLogP of 2.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).