3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide

C21H24N2O3 — CID 31670360

IUPAC3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H24N2O3/c1-15-6-3-4-9-19(15)26-13-12-23(2)21(25)17-7-5-8-18(14-17)22-20(24)16-10-11-16/h3-9,14,16H,10-13H2,1-2H3,(H,22,24)
InChIKeyKZCFCSFKQOCSFB-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.49
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide

3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide (PubChem CID 31670360) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
PubChem CID31670360
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H24N2O3/c1-15-6-3-4-9-19(15)26-13-12-23(2)21(25)17-7-5-8-18(14-17)22-20(24)16-10-11-16/h3-9,14,16H,10-13H2,1-2H3,(H,22,24)
InChIKeyKZCFCSFKQOCSFB-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[3-(cyclopropanecarbonylamino)benzoyl]-methylamino]butanoate
CID 39491124
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46508301
3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120132
3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide
CID 46443051
N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 119659590
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46409789
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 47067365
3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 51146977
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 26979430

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide (CID 31670360) is 3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide is Cc1ccccc1OCCN(C)C(=O)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The InChIKey is KZCFCSFKQOCSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-6-3-4-9-19(15)26-13-12-23(2)21(25)17-7-5-8-18(14-17)22-20(24)16-10-11-16/h3-9,14,16H,10-13H2,1-2H3,(H,22,24).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 31670360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).