N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide

C15H24N2O — CID 60850765

IUPACN-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-13(2)16-11-7-10-15(18)17(3)12-14-8-5-4-6-9-14/h4-6,8-9,13,16H,7,10-12H2,1-3H3
InChIKeyVFHSZLSJKDEFDS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.42
Rot. Bonds7

About N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide

N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide (PubChem CID 60850765) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
PubChem CID60850765
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-13(2)16-11-7-10-15(18)17(3)12-14-8-5-4-6-9-14/h4-6,8-9,13,16H,7,10-12H2,1-3H3
InChIKeyVFHSZLSJKDEFDS-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54873535
N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54874164
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60936666
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
N-benzyl-N-methylpentanamide
CID 4629611
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54873511
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398
N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936975
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
N-benzyl-3-(butylamino)-N-methylpropanamide
CID 109012383

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide (CID 60850765) is N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide?
The InChIKey is VFHSZLSJKDEFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(2)16-11-7-10-15(18)17(3)12-14-8-5-4-6-9-14/h4-6,8-9,13,16H,7,10-12H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide?
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60850765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).