methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate

C20H20N2O5 — CID 42157013

IUPACmethyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1cccc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C20H20N2O5/c1-26-20(25)14-5-3-7-17(11-14)27-12-18(23)21-16-6-2-4-13(10-16)19(24)22-15-8-9-15/h2-7,10-11,15H,8-9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyGWAYGQRVPCTFLB-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.38
Rot. Bonds7

About methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate

methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate (PubChem CID 42157013) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
PubChem CID42157013
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Namemethyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1cccc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C20H20N2O5/c1-26-20(25)14-5-3-7-17(11-14)27-12-18(23)21-16-6-2-4-13(10-16)19(24)22-15-8-9-15/h2-7,10-11,15H,8-9,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyGWAYGQRVPCTFLB-UHFFFAOYSA-N
XLogP2.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate 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-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
N-cyclopropyl-3-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 87021689
methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977645
N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
CID 2592757
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 42039111
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160
N-cyclopropyl-3-methoxybenzamide
CID 900156

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate (CID 42157013) is methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate is COC(=O)c1cccc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1.
What is the InChIKey of methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
The InChIKey is GWAYGQRVPCTFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-26-20(25)14-5-3-7-17(11-14)27-12-18(23)21-16-6-2-4-13(10-16)19(24)22-15-8-9-15/h2-7,10-11,15H,8-9,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate has a molecular weight of 368.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 42157013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).