N-benzyl-4-methyl-N-propan-2-ylpentanamide

C16H25NO — CID 86978961

IUPACN-benzyl-4-methyl-N-propan-2-ylpentanamide
SMILESCC(C)CCC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C16H25NO/c1-13(2)10-11-16(18)17(14(3)4)12-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3
InChIKeyWHQJQFJJEUZFJF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.86
Rot. Bonds6

About N-benzyl-4-methyl-N-propan-2-ylpentanamide

N-benzyl-4-methyl-N-propan-2-ylpentanamide (PubChem CID 86978961) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-propan-2-ylpentanamide
PubChem CID86978961
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-benzyl-4-methyl-N-propan-2-ylpentanamide
SMILESCC(C)CCC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C16H25NO/c1-13(2)10-11-16(18)17(14(3)4)12-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3
InChIKeyWHQJQFJJEUZFJF-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113136884
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide
CID 109020269
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide
CID 61014679
N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide
CID 109031682
3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113114991
N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
CID 113135924
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-propan-2-ylpentanamide?
The IUPAC name of N-benzyl-4-methyl-N-propan-2-ylpentanamide (CID 86978961) is N-benzyl-4-methyl-N-propan-2-ylpentanamide.
What is the SMILES notation for N-benzyl-4-methyl-N-propan-2-ylpentanamide?
The canonical SMILES for N-benzyl-4-methyl-N-propan-2-ylpentanamide is CC(C)CCC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-4-methyl-N-propan-2-ylpentanamide?
The InChIKey is WHQJQFJJEUZFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)10-11-16(18)17(14(3)4)12-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3.
What are the key properties of N-benzyl-4-methyl-N-propan-2-ylpentanamide?
N-benzyl-4-methyl-N-propan-2-ylpentanamide has a molecular weight of 247.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 86978961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).