N-benzyl-2-methyl-N-pyridin-2-ylpentanamide

C18H22N2O — CID 3745892

IUPACN-benzyl-2-methyl-N-pyridin-2-ylpentanamide
SMILESCCCC(C)C(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C18H22N2O/c1-3-9-15(2)18(21)20(17-12-7-8-13-19-17)14-16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3
InChIKeyWQJHCBGORDDNSP-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.05
Rot. Bonds6

About N-benzyl-2-methyl-N-pyridin-2-ylpentanamide

N-benzyl-2-methyl-N-pyridin-2-ylpentanamide (PubChem CID 3745892) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-pyridin-2-ylpentanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-pyridin-2-ylpentanamide
PubChem CID3745892
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-benzyl-2-methyl-N-pyridin-2-ylpentanamide
SMILESCCCC(C)C(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C18H22N2O/c1-3-9-15(2)18(21)20(17-12-7-8-13-19-17)14-16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3
InChIKeyWQJHCBGORDDNSP-UHFFFAOYSA-N
XLogP4.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-pyridin-2-ylpentanamide?
The IUPAC name of N-benzyl-2-methyl-N-pyridin-2-ylpentanamide (CID 3745892) is N-benzyl-2-methyl-N-pyridin-2-ylpentanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-pyridin-2-ylpentanamide?
The canonical SMILES for N-benzyl-2-methyl-N-pyridin-2-ylpentanamide is CCCC(C)C(=O)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-methyl-N-pyridin-2-ylpentanamide?
The InChIKey is WQJHCBGORDDNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-9-15(2)18(21)20(17-12-7-8-13-19-17)14-16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3.
What are the key properties of N-benzyl-2-methyl-N-pyridin-2-ylpentanamide?
N-benzyl-2-methyl-N-pyridin-2-ylpentanamide has a molecular weight of 282.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-pyridin-2-ylpentanamide is sourced from PubChem (CID 3745892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).