N-benzyl-N-methyl-3-(propylamino)propanamide

C14H22N2O — CID 109011497

IUPACN-benzyl-N-methyl-3-(propylamino)propanamide
SMILESCCCNCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-3-10-15-11-9-14(17)16(2)12-13-7-5-4-6-8-13/h4-8,15H,3,9-12H2,1-2H3
InChIKeyCQKGQFZQDYKCFJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.03
Rot. Bonds7

About N-benzyl-N-methyl-3-(propylamino)propanamide

N-benzyl-N-methyl-3-(propylamino)propanamide (PubChem CID 109011497) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(propylamino)propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(propylamino)propanamide
PubChem CID109011497
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-benzyl-N-methyl-3-(propylamino)propanamide
SMILESCCCNCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-3-10-15-11-9-14(17)16(2)12-13-7-5-4-6-8-13/h4-8,15H,3,9-12H2,1-2H3
InChIKeyCQKGQFZQDYKCFJ-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.03
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-3-(butylamino)-N-methylpropanamide
CID 109012383
N-benzyl-N-methylpentanamide
CID 4629611
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 109020403
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-2-(butylamino)-N-methylacetamide
CID 54816784
N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
CID 109020395
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-benzyl-3-[[N-ethyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]-N-methylpropanamide;hydroiodide
CID 111232840
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 43039190

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(propylamino)propanamide?
The IUPAC name of N-benzyl-N-methyl-3-(propylamino)propanamide (CID 109011497) is N-benzyl-N-methyl-3-(propylamino)propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(propylamino)propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-(propylamino)propanamide is CCCNCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-3-(propylamino)propanamide?
The InChIKey is CQKGQFZQDYKCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-10-15-11-9-14(17)16(2)12-13-7-5-4-6-8-13/h4-8,15H,3,9-12H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-3-(propylamino)propanamide?
N-benzyl-N-methyl-3-(propylamino)propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.03, 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-3-(propylamino)propanamide is sourced from PubChem (CID 109011497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).