N-benzyl-3-(butylamino)-N-methylpropanamide

C15H24N2O — CID 109012383

IUPACN-benzyl-3-(butylamino)-N-methylpropanamide
SMILESCCCCNCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-4-11-16-12-10-15(18)17(2)13-14-8-6-5-7-9-14/h5-9,16H,3-4,10-13H2,1-2H3
InChIKeyVSZCAERFQRNADA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.42
Rot. Bonds8

About N-benzyl-3-(butylamino)-N-methylpropanamide

N-benzyl-3-(butylamino)-N-methylpropanamide (PubChem CID 109012383) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-benzyl-3-(butylamino)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(butylamino)-N-methylpropanamide
PubChem CID109012383
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-benzyl-3-(butylamino)-N-methylpropanamide
SMILESCCCCNCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-4-11-16-12-10-15(18)17(2)13-14-8-6-5-7-9-14/h5-9,16H,3-4,10-13H2,1-2H3
InChIKeyVSZCAERFQRNADA-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
N-benzyl-2-(butylamino)-N-methylacetamide
CID 54816784
N-benzyl-N-methylpentanamide
CID 4629611
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 109020403
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
CID 109020395
ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate
CID 60671815
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 43039190

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(butylamino)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(butylamino)-N-methylpropanamide (CID 109012383) is N-benzyl-3-(butylamino)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(butylamino)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(butylamino)-N-methylpropanamide is CCCCNCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(butylamino)-N-methylpropanamide?
The InChIKey is VSZCAERFQRNADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-11-16-12-10-15(18)17(2)13-14-8-6-5-7-9-14/h5-9,16H,3-4,10-13H2,1-2H3.
What are the key properties of N-benzyl-3-(butylamino)-N-methylpropanamide?
N-benzyl-3-(butylamino)-N-methylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(butylamino)-N-methylpropanamide is sourced from PubChem (CID 109012383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).