ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate

C12H17NO3 — CID 60636271

IUPACethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C12H17NO3/c1-4-16-12(14)13(2)9-10-6-5-7-11(8-10)15-3/h5-8H,4,9H2,1-3H3
InChIKeyDAJRXMVKGBLBBM-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.28
Rot. Bonds4

About ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate

ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate (PubChem CID 60636271) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
PubChem CID60636271
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C12H17NO3/c1-4-16-12(14)13(2)9-10-6-5-7-11(8-10)15-3/h5-8H,4,9H2,1-3H3
InChIKeyDAJRXMVKGBLBBM-UHFFFAOYSA-N
XLogP2.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
ethyl 3-hydroxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoate
CID 82768923
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648313
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 114290441
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate (CID 60636271) is ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate is CCOC(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate?
The InChIKey is DAJRXMVKGBLBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-16-12(14)13(2)9-10-6-5-7-11(8-10)15-3/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate?
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate has a molecular weight of 223.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 60636271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).