methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate

C20H21NO4 — CID 9298633

IUPACmethyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1
InChIInChI=1S/C20H21NO4/c1-24-18-11-3-14(4-12-18)13-21(17-9-10-17)19(22)15-5-7-16(8-6-15)20(23)25-2/h3-8,11-12,17H,9-10,13H2,1-2H3
InChIKeyQUEDSWAGPPQSHU-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.29
Rot. Bonds6

About methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate

methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate (PubChem CID 9298633) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
PubChem CID9298633
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1
InChIInChI=1S/C20H21NO4/c1-24-18-11-3-14(4-12-18)13-21(17-9-10-17)19(22)15-5-7-16(8-6-15)20(23)25-2/h3-8,11-12,17H,9-10,13H2,1-2H3
InChIKeyQUEDSWAGPPQSHU-UHFFFAOYSA-N
XLogP3.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
methyl 4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 9019563
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
[4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 46110939
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 7123320
methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 126676707
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-4-nitrobenzamide
CID 9298269

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate (CID 9298633) is methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1.
What is the InChIKey of methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate?
The InChIKey is QUEDSWAGPPQSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-18-11-3-14(4-12-18)13-21(17-9-10-17)19(22)15-5-7-16(8-6-15)20(23)25-2/h3-8,11-12,17H,9-10,13H2,1-2H3.
What are the key properties of methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate?
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate has a molecular weight of 339.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate is sourced from PubChem (CID 9298633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).