N-benzyl-4-(methylamino)heptanamide

C15H24N2O — CID 142110243

IUPACN-benzyl-4-(methylamino)heptanamide
SMILESCCCC(CCC(=O)NCc1ccccc1)NC
InChIInChI=1S/C15H24N2O/c1-3-7-14(16-2)10-11-15(18)17-12-13-8-5-4-6-9-13/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3,(H,17,18)
InChIKeyPKWRYBMVRJQXDI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.47
Rot. Bonds8

About N-benzyl-4-(methylamino)heptanamide

N-benzyl-4-(methylamino)heptanamide (PubChem CID 142110243) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-benzyl-4-(methylamino)heptanamide.

Molecular Properties

Compound NameN-benzyl-4-(methylamino)heptanamide
PubChem CID142110243
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-benzyl-4-(methylamino)heptanamide
SMILESCCCC(CCC(=O)NCc1ccccc1)NC
InChIInChI=1S/C15H24N2O/c1-3-7-14(16-2)10-11-15(18)17-12-13-8-5-4-6-9-13/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3,(H,17,18)
InChIKeyPKWRYBMVRJQXDI-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(heptan-4-ylamino)acetamide
CID 54881646
N-benzyl-4-bromooctanamide
CID 174470522
N-benzyl-4,4-difluorobutanamide
CID 132965820
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
(4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide
CID 142497406
N-benzylundecanamide
CID 5078198
N-benzyl-4-fluoro-7-oxooctanamide
CID 154713599
N'-benzylbutanediamide
CID 4682951
N-benzyl-2-hydroxypentanamide
CID 141058656
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
N'-benzyl-N-propylpropanediamide
CID 108940601
N-benzyl-2-hydroxypentanamide;ethane
CID 168939873

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(methylamino)heptanamide?
The IUPAC name of N-benzyl-4-(methylamino)heptanamide (CID 142110243) is N-benzyl-4-(methylamino)heptanamide.
What is the SMILES notation for N-benzyl-4-(methylamino)heptanamide?
The canonical SMILES for N-benzyl-4-(methylamino)heptanamide is CCCC(CCC(=O)NCc1ccccc1)NC.
What is the InChIKey of N-benzyl-4-(methylamino)heptanamide?
The InChIKey is PKWRYBMVRJQXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-7-14(16-2)10-11-15(18)17-12-13-8-5-4-6-9-13/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3,(H,17,18).
What are the key properties of N-benzyl-4-(methylamino)heptanamide?
N-benzyl-4-(methylamino)heptanamide has a molecular weight of 248.37 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(methylamino)heptanamide is sourced from PubChem (CID 142110243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).