N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide

C15H24N2O — CID 78791395

IUPACN-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCCCCNC(=O)CN(C)Cc1ccccc1C
InChIInChI=1S/C15H24N2O/c1-4-5-10-16-15(18)12-17(3)11-14-9-7-6-8-13(14)2/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyORKWPGHOQZMJCZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.34
Rot. Bonds7

About N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide

N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide (PubChem CID 78791395) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
PubChem CID78791395
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCCCCNC(=O)CN(C)Cc1ccccc1C
InChIInChI=1S/C15H24N2O/c1-4-5-10-16-15(18)12-17(3)11-14-9-7-6-8-13(14)2/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKeyORKWPGHOQZMJCZ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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

2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26510312
N-[2-(2-methoxyphenoxy)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791050
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964387
N-butyl-2-[[2-(2-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132702900
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 18087619
ethyl 4-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]butanoate
CID 86908494
N-benzhydryl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964153
N-butyl-2-[(2-methylphenyl)methylsulfinyl]acetamide
CID 47022755
N-butyl-N'-[(2-methylphenyl)methyl]oxamide
CID 2174476

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide (CID 78791395) is N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide is CCCCNC(=O)CN(C)Cc1ccccc1C.
What is the InChIKey of N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The InChIKey is ORKWPGHOQZMJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-10-16-15(18)12-17(3)11-14-9-7-6-8-13(14)2/h6-9H,4-5,10-12H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 78791395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).