N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide

C20H23N3O3 — CID 55897484

IUPACN-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
SMILESCOc1ccccc1NC(=O)CNc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C20H23N3O3/c1-13-7-8-14(20(25)22-15-9-10-15)11-17(13)21-12-19(24)23-16-5-3-4-6-18(16)26-2/h3-8,11,15,21H,9-10,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYZRVBORRIUGJOB-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.95
Rot. Bonds7

About N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide

N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide (PubChem CID 55897484) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
PubChem CID55897484
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
SMILESCOc1ccccc1NC(=O)CNc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C20H23N3O3/c1-13-7-8-14(20(25)22-15-9-10-15)11-17(13)21-12-19(24)23-16-5-3-4-6-18(16)26-2/h3-8,11,15,21H,9-10,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYZRVBORRIUGJOB-UHFFFAOYSA-N
XLogP2.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60536487
N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide
CID 55898772
methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17425229
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 87029088
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-cyclopropyl-3-[[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]amino]-4-methylbenzamide
CID 11419031
N-cyclopropyl-3-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 18287366
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide (CID 55897484) is N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide is COc1ccccc1NC(=O)CNc1cc(C(=O)NC2CC2)ccc1C.
What is the InChIKey of N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide?
The InChIKey is YZRVBORRIUGJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-7-8-14(20(25)22-15-9-10-15)11-17(13)21-12-19(24)23-16-5-3-4-6-18(16)26-2/h3-8,11,15,21H,9-10,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide?
N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide has a molecular weight of 353.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide is sourced from PubChem (CID 55897484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).