methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate

C12H16ClNO3 — CID 115190631

IUPACmethyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1cc(Cl)c(C)cc1OC
InChIInChI=1S/C12H16ClNO3/c1-8-5-11(16-3)9(6-10(8)13)7-14(2)12(15)17-4/h5-6H,7H2,1-4H3
InChIKeyRKIODZBZVIVNRI-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.86
Rot. Bonds3

About methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate

methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate (PubChem CID 115190631) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate
PubChem CID115190631
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Namemethyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1cc(Cl)c(C)cc1OC
InChIInChI=1S/C12H16ClNO3/c1-8-5-11(16-3)9(6-10(8)13)7-14(2)12(15)17-4/h5-6H,7H2,1-4H3
InChIKeyRKIODZBZVIVNRI-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-2-cyano-N-methylacetamide
CID 115173174
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl-methylamino]butan-2-one
CID 115235800
1-(5-chloro-2-methoxy-4-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260949
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-1-methylurea
CID 115168360
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl-methylamino]propanenitrile
CID 115230970
N-[[5-[[acetyl(methyl)amino]methyl]-2,4-dimethoxyphenyl]methyl]-N-methylacetamide
CID 50941876
methyl 4-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 98784589
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one
CID 115234566
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl-methylamino]-2-methylpropanenitrile
CID 115129437

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate (CID 115190631) is methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate is COC(=O)N(C)Cc1cc(Cl)c(C)cc1OC.
What is the InChIKey of methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate?
The InChIKey is RKIODZBZVIVNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8-5-11(16-3)9(6-10(8)13)7-14(2)12(15)17-4/h5-6H,7H2,1-4H3.
What are the key properties of methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate?
methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate has a molecular weight of 257.72 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 115190631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).