2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide

C16H26N2O — CID 119430585

IUPAC2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)C(Cc1ccccc1)C(C)C
InChIInChI=1S/C16H26N2O/c1-13(2)15(12-14-8-5-4-6-9-14)16(19)18-11-7-10-17-3/h4-6,8-9,13,15,17H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyYPVCBZQYGYJJTK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds8

About 2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide

2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide (PubChem CID 119430585) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide.

Molecular Properties

Compound Name2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide
PubChem CID119430585
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)C(Cc1ccccc1)C(C)C
InChIInChI=1S/C16H26N2O/c1-13(2)15(12-14-8-5-4-6-9-14)16(19)18-11-7-10-17-3/h4-6,8-9,13,15,17H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyYPVCBZQYGYJJTK-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
3-[[(2R)-2-benzyl-3-methylbutanoyl]amino]propanoic acid
CID 124682272
2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide
CID 142050065
2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide
CID 172626022
(2R)-2-benzyl-N-butyl-3-methylpentanamide
CID 155243987
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
2-benzyl-N-[(2R)-2-(ethylamino)propyl]-3-methylbutanamide;hydrochloride
CID 120651072
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
(2S)-2-(methylamino)-N-[2-(methylamino)ethyl]-3-phenylpropanamide
CID 100959272

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide?
The IUPAC name of 2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide (CID 119430585) is 2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide.
What is the SMILES notation for 2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide?
The canonical SMILES for 2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide is CNCCCNC(=O)C(Cc1ccccc1)C(C)C.
What is the InChIKey of 2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide?
The InChIKey is YPVCBZQYGYJJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)15(12-14-8-5-4-6-9-14)16(19)18-11-7-10-17-3/h4-6,8-9,13,15,17H,7,10-12H2,1-3H3,(H,18,19).
What are the key properties of 2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide?
2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methyl-N-[3-(methylamino)propyl]butanamide is sourced from PubChem (CID 119430585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).