3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide

C21H24N2O2 — CID 44578843

IUPAC3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(-c2ccc(C(=O)NCC3CC3)cc2)c1
InChIInChI=1S/C21H24N2O2/c1-3-22-21(25)18-7-4-14(2)19(12-18)16-8-10-17(11-9-16)20(24)23-13-15-5-6-15/h4,7-12,15H,3,5-6,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOZCXKBIYALLVRH-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.55
Rot. Bonds6

About 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide

3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide (PubChem CID 44578843) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide
PubChem CID44578843
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(-c2ccc(C(=O)NCC3CC3)cc2)c1
InChIInChI=1S/C21H24N2O2/c1-3-22-21(25)18-7-4-14(2)19(12-18)16-8-10-17(11-9-16)20(24)23-13-15-5-6-15/h4,7-12,15H,3,5-6,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOZCXKBIYALLVRH-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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AR-M1000390
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4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
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CID 148140
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Bunaftine
CID 36131
N-Ethyl-3-toluamide
CID 93103
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
N-(3,3-diphenylpropyl)benzamide
CID 1220236
N-[3-(benzoylamino)propyl]benzamide
CID 255782

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide (CID 44578843) is 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(-c2ccc(C(=O)NCC3CC3)cc2)c1.
What is the InChIKey of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide?
The InChIKey is OZCXKBIYALLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-22-21(25)18-7-4-14(2)19(12-18)16-8-10-17(11-9-16)20(24)23-13-15-5-6-15/h4,7-12,15H,3,5-6,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide?
3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 44578843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).