methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate

C21H23ClN2O5 — CID 55775972

IUPACmethyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O5/c1-24(2)19(25)13-29-17-6-4-5-15(11-17)21(27)23-18(12-20(26)28-3)14-7-9-16(22)10-8-14/h4-11,18H,12-13H2,1-3H3,(H,23,27)
InChIKeyNCPAAECUCWQKQT-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.84
Rot. Bonds8

About methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate

methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate (PubChem CID 55775972) has the molecular formula C21H23ClN2O5 and a molecular weight of 418.88 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate
PubChem CID55775972
Molecular FormulaC21H23ClN2O5
Molecular Weight418.88 g/mol
Exact Mass418.13
IUPAC Namemethyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O5/c1-24(2)19(25)13-29-17-6-4-5-15(11-17)21(27)23-18(12-20(26)28-3)14-7-9-16(22)10-8-14/h4-11,18H,12-13H2,1-3H3,(H,23,27)
InChIKeyNCPAAECUCWQKQT-UHFFFAOYSA-N
XLogP2.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]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

3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide
CID 134048764
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
CID 45139943
methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate
CID 55668550
methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
CID 55633058
[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214743
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754
methyl 3-(4-chlorophenyl)-3-[(2-chloroquinoline-6-carbonyl)amino]propanoate
CID 55822876
methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 46657420
methyl 3-(4-chlorophenyl)-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]propanoate
CID 55776227
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55774395
methyl (3R)-3-(4-chlorophenyl)-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 38163674

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate?
The IUPAC name of methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate (CID 55775972) is methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate is COC(=O)CC(NC(=O)c1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate?
The InChIKey is NCPAAECUCWQKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5/c1-24(2)19(25)13-29-17-6-4-5-15(11-17)21(27)23-18(12-20(26)28-3)14-7-9-16(22)10-8-14/h4-11,18H,12-13H2,1-3H3,(H,23,27).
What are the key properties of methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate?
methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate has a molecular weight of 418.88 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate is sourced from PubChem (CID 55775972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).