3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate

C20H21N2O6- — CID 3465786

IUPAC3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate
SMILESCOc1cc(C(CC(=O)[O-])NC(=O)Cc2ccccc2)ccc1OCC(N)=O
InChIInChI=1S/C20H22N2O6/c1-27-17-10-14(7-8-16(17)28-12-18(21)23)15(11-20(25)26)22-19(24)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11-12H2,1H3,(H2,21,23)(H,22,24)(H,25,26)/p-1
InChIKeyONCSCNFRKMUZJO-UHFFFAOYSA-M
MW385.40 g/mol
LogP0.10
Rot. Bonds10

About 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate

3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate (PubChem CID 3465786) has the molecular formula C20H21N2O6- and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Name3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate
PubChem CID3465786
Molecular FormulaC20H21N2O6-
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate
SMILESCOc1cc(C(CC(=O)[O-])NC(=O)Cc2ccccc2)ccc1OCC(N)=O
InChIInChI=1S/C20H22N2O6/c1-27-17-10-14(7-8-16(17)28-12-18(21)23)15(11-20(25)26)22-19(24)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11-12H2,1H3,(H2,21,23)(H,22,24)(H,25,26)/p-1
InChIKeyONCSCNFRKMUZJO-UHFFFAOYSA-M
XLogP0.10
TPSA130.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate with MolForge

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Related Compounds

(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6926087
3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 3466163
3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 3511694
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 1271468
(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 7045097
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 7045109
(3R)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-bromobenzoyl)amino]propanoic acid
CID 1271461
3-(3,4-dimethoxyphenyl)-3-[[2-(2-fluorophenoxy)acetyl]amino]propanoic acid
CID 45432854
(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 6943067
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 6926618
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
CID 99993393

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate (CID 3465786) is 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate is COc1cc(C(CC(=O)[O-])NC(=O)Cc2ccccc2)ccc1OCC(N)=O.
What is the InChIKey of 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate?
The InChIKey is ONCSCNFRKMUZJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22N2O6/c1-27-17-10-14(7-8-16(17)28-12-18(21)23)15(11-20(25)26)22-19(24)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11-12H2,1H3,(H2,21,23)(H,22,24)(H,25,26)/p-1.
What are the key properties of 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate?
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate has a molecular weight of 385.40 g/mol, XLogP of 0.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 3465786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).