methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate

C24H28N2O7 — CID 46546821

IUPACmethyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H28N2O7/c1-30-20-10-9-16(11-21(20)31-2)19(13-23(28)32-3)26-22(27)14-33-18-6-4-5-17(12-18)25-24(29)15-7-8-15/h4-6,9-12,15,19H,7-8,13-14H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyJVUIFZOTWBUSIY-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.85
Rot. Bonds11

About methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate

methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate (PubChem CID 46546821) has the molecular formula C24H28N2O7 and a molecular weight of 456.50 g/mol. Its IUPAC name is methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
PubChem CID46546821
Molecular FormulaC24H28N2O7
Molecular Weight456.50 g/mol
Exact Mass456.19
IUPAC Namemethyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H28N2O7/c1-30-20-10-9-16(11-21(20)31-2)19(13-23(28)32-3)26-22(27)14-33-18-6-4-5-17(12-18)25-24(29)15-7-8-15/h4-6,9-12,15,19H,7-8,13-14H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyJVUIFZOTWBUSIY-UHFFFAOYSA-N
XLogP2.85
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616234
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119420224
methyl 3-[(2-cyclohexyloxyacetyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55776096
3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 3511694
methyl 3-(3,4-dimethoxyphenyl)-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoate
CID 55440558
N-[3-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55615703
N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55639706
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818
N-[3-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 46546333

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate (CID 46546821) is methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate is COC(=O)CC(NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate?
The InChIKey is JVUIFZOTWBUSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O7/c1-30-20-10-9-16(11-21(20)31-2)19(13-23(28)32-3)26-22(27)14-33-18-6-4-5-17(12-18)25-24(29)15-7-8-15/h4-6,9-12,15,19H,7-8,13-14H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate?
methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate has a molecular weight of 456.50 g/mol, XLogP of 2.85, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 46546821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).