N-benzyl-4-(2-ethylhexanoylamino)benzamide

C22H28N2O2 — CID 546715

IUPACN-benzyl-4-(2-ethylhexanoylamino)benzamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-3-5-11-18(4-2)22(26)24-20-14-12-19(13-15-20)21(25)23-16-17-9-7-6-8-10-17/h6-10,12-15,18H,3-5,11,16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUOMRIHQSXPIMIK-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.77
Rot. Bonds9

About N-benzyl-4-(2-ethylhexanoylamino)benzamide

N-benzyl-4-(2-ethylhexanoylamino)benzamide (PubChem CID 546715) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-4-(2-ethylhexanoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(2-ethylhexanoylamino)benzamide
PubChem CID546715
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-benzyl-4-(2-ethylhexanoylamino)benzamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-3-5-11-18(4-2)22(26)24-20-14-12-19(13-15-20)21(25)23-16-17-9-7-6-8-10-17/h6-10,12-15,18H,3-5,11,16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUOMRIHQSXPIMIK-UHFFFAOYSA-N
XLogP4.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-ethyl-N-(4-phenylmethoxyphenyl)hexanamide
CID 40547684
N-benzyl-4-[(2,2-diphenylacetyl)amino]benzamide
CID 22449907
N-benzyl-4-(propylamino)benzamide
CID 62172438
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide
CID 164954061
N-[[4-(chloromethyl)phenyl]methyl]-2-ethylhexanamide
CID 107233438
2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 3492228
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54843793

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-ethylhexanoylamino)benzamide?
The IUPAC name of N-benzyl-4-(2-ethylhexanoylamino)benzamide (CID 546715) is N-benzyl-4-(2-ethylhexanoylamino)benzamide.
What is the SMILES notation for N-benzyl-4-(2-ethylhexanoylamino)benzamide?
The canonical SMILES for N-benzyl-4-(2-ethylhexanoylamino)benzamide is CCCCC(CC)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(2-ethylhexanoylamino)benzamide?
The InChIKey is UOMRIHQSXPIMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-5-11-18(4-2)22(26)24-20-14-12-19(13-15-20)21(25)23-16-17-9-7-6-8-10-17/h6-10,12-15,18H,3-5,11,16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-benzyl-4-(2-ethylhexanoylamino)benzamide?
N-benzyl-4-(2-ethylhexanoylamino)benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-ethylhexanoylamino)benzamide is sourced from PubChem (CID 546715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).