2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide

C14H22N2O — CID 60695447

IUPAC2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCc1ccccc1CNCC(=O)NCC(C)C
InChIInChI=1S/C14H22N2O/c1-11(2)8-16-14(17)10-15-9-13-7-5-4-6-12(13)3/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyKEOIGFZQHKVDLS-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.86
Rot. Bonds6

About 2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide

2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 60695447) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide
PubChem CID60695447
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCc1ccccc1CNCC(=O)NCC(C)C
InChIInChI=1S/C14H22N2O/c1-11(2)8-16-14(17)10-15-9-13-7-5-4-6-12(13)3/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyKEOIGFZQHKVDLS-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
N-(2-methylpropyl)-2-[(2-propan-2-yloxyphenyl)methylamino]acetamide
CID 115621831
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 112690620
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645
2-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
2-[(2-methylphenyl)methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 108996565
1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone
CID 108996100
2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263785
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide (CID 60695447) is 2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide is Cc1ccccc1CNCC(=O)NCC(C)C.
What is the InChIKey of 2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is KEOIGFZQHKVDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)8-16-14(17)10-15-9-13-7-5-4-6-12(13)3/h4-7,11,15H,8-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide?
2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 234.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 60695447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).