N-benzyl-N-butan-2-ylpentanamide

C16H25NO — CID 78842113

IUPACN-benzyl-N-butan-2-ylpentanamide
SMILESCCCCC(=O)N(Cc1ccccc1)C(C)CC
InChIInChI=1S/C16H25NO/c1-4-6-12-16(18)17(14(3)5-2)13-15-10-8-7-9-11-15/h7-11,14H,4-6,12-13H2,1-3H3
InChIKeyMOPZNVRQKNVQTE-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.00
Rot. Bonds7

About N-benzyl-N-butan-2-ylpentanamide

N-benzyl-N-butan-2-ylpentanamide (PubChem CID 78842113) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-benzyl-N-butan-2-ylpentanamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-ylpentanamide
PubChem CID78842113
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-benzyl-N-butan-2-ylpentanamide
SMILESCCCCC(=O)N(Cc1ccccc1)C(C)CC
InChIInChI=1S/C16H25NO/c1-4-6-12-16(18)17(14(3)5-2)13-15-10-8-7-9-11-15/h7-11,14H,4-6,12-13H2,1-3H3
InChIKeyMOPZNVRQKNVQTE-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-butan-2-ylbutanamide
CID 60717440
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
CID 60937133
N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide
CID 56536444
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]pentanamide
CID 7288793
N-benzyl-N-methylpentanamide
CID 4629611
2-[benzyl(butanoyl)amino]-N-butylbutanamide
CID 132699427
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]hexanamide
CID 7216163
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
benzyl 2-[benzyl(octanoyl)amino]-2-phenylacetate
CID 135023630
[4-[[[(2R)-butan-2-yl]-hexanoylamino]methyl]phenyl] methanesulfonate
CID 7350069

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-ylpentanamide?
The IUPAC name of N-benzyl-N-butan-2-ylpentanamide (CID 78842113) is N-benzyl-N-butan-2-ylpentanamide.
What is the SMILES notation for N-benzyl-N-butan-2-ylpentanamide?
The canonical SMILES for N-benzyl-N-butan-2-ylpentanamide is CCCCC(=O)N(Cc1ccccc1)C(C)CC.
What is the InChIKey of N-benzyl-N-butan-2-ylpentanamide?
The InChIKey is MOPZNVRQKNVQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-12-16(18)17(14(3)5-2)13-15-10-8-7-9-11-15/h7-11,14H,4-6,12-13H2,1-3H3.
What are the key properties of N-benzyl-N-butan-2-ylpentanamide?
N-benzyl-N-butan-2-ylpentanamide has a molecular weight of 247.38 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-ylpentanamide is sourced from PubChem (CID 78842113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).