N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide

C12H18N2O2 — CID 120705320

IUPACN-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1cc(C)cc(OC)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-10(6-11(5-9)16-3)7-14-12(15)8-13-2/h4-6,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyAMDLNPFCCSKGFO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds5

About N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide

N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide (PubChem CID 120705320) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide
PubChem CID120705320
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1cc(C)cc(OC)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-10(6-11(5-9)16-3)7-14-12(15)8-13-2/h4-6,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyAMDLNPFCCSKGFO-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119820030
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
N-[(4-methoxyphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54812010
5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide
CID 167787930
N-[2-[(6-methoxynaphthalen-2-yl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 41255483
3-[(3-methoxy-5-methylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122007551
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
2-chloro-N-[(3,5-dimethylphenyl)methyl]acetamide
CID 12767964
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119763455

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide (CID 120705320) is N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide is CNCC(=O)NCc1cc(C)cc(OC)c1.
What is the InChIKey of N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide?
The InChIKey is AMDLNPFCCSKGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-10(6-11(5-9)16-3)7-14-12(15)8-13-2/h4-6,13H,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide?
N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 120705320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).