N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide

C21H26N2O2 — CID 2207510

IUPACN-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-6-11-20(24)22-18-14-12-17(13-15-18)21(25)23(5-2)19-10-8-7-9-16(19)3/h7-10,12-15H,4-6,11H2,1-3H3,(H,22,24)
InChIKeyWVUVQQITOJLDHH-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.79
Rot. Bonds7

About N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide

N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide (PubChem CID 2207510) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide
PubChem CID2207510
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-6-11-20(24)22-18-14-12-17(13-15-18)21(25)23(5-2)19-10-8-7-9-16(19)3/h7-10,12-15H,4-6,11H2,1-3H3,(H,22,24)
InChIKeyWVUVQQITOJLDHH-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide?
The IUPAC name of N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide (CID 2207510) is N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2C)cc1.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide?
The InChIKey is WVUVQQITOJLDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-6-11-20(24)22-18-14-12-17(13-15-18)21(25)23(5-2)19-10-8-7-9-16(19)3/h7-10,12-15H,4-6,11H2,1-3H3,(H,22,24).
What are the key properties of N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide?
N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylphenyl)-4-(pentanoylamino)benzamide is sourced from PubChem (CID 2207510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).