N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide

C15H22N2O2 — CID 108994238

IUPACN-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCc1cccc(CNC(=O)CNCC2CCCO2)c1
InChIInChI=1S/C15H22N2O2/c1-12-4-2-5-13(8-12)9-17-15(18)11-16-10-14-6-3-7-19-14/h2,4-5,8,14,16H,3,6-7,9-11H2,1H3,(H,17,18)
InChIKeyQCZRPFLUXCWYJK-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.38
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide

N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 108994238) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID108994238
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCc1cccc(CNC(=O)CNCC2CCCO2)c1
InChIInChI=1S/C15H22N2O2/c1-12-4-2-5-13(8-12)9-17-15(18)11-16-10-14-6-3-7-19-14/h2,4-5,8,14,16H,3,6-7,9-11H2,1H3,(H,17,18)
InChIKeyQCZRPFLUXCWYJK-UHFFFAOYSA-N
XLogP1.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119751896
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259
N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119689704
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119689703
3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103890
N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 50977763

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 108994238) is N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide is Cc1cccc(CNC(=O)CNCC2CCCO2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is QCZRPFLUXCWYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-2-5-13(8-12)9-17-15(18)11-16-10-14-6-3-7-19-14/h2,4-5,8,14,16H,3,6-7,9-11H2,1H3,(H,17,18).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 108994238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).