methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate

C12H16ClNO3 — CID 110789555

IUPACmethyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1cc(Cl)cc(C)c1OC
InChIInChI=1S/C12H16ClNO3/c1-8-6-10(13)7-9(11(8)16-2)4-5-14-12(15)17-3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyLOYKVORDAMUABZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.56
Rot. Bonds4

About methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate

methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate (PubChem CID 110789555) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
PubChem CID110789555
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Namemethyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1cc(Cl)cc(C)c1OC
InChIInChI=1S/C12H16ClNO3/c1-8-6-10(13)7-9(11(8)16-2)4-5-14-12(15)17-3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyLOYKVORDAMUABZ-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
1-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propan-2-one
CID 115235019
N-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]carbamoyl bromide
CID 115193935
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795721
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide
CID 110782925
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193766
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926918
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139037
2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769441
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propanenitrile
CID 115231106

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate (CID 110789555) is methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate is COC(=O)NCCc1cc(Cl)cc(C)c1OC.
What is the InChIKey of methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate?
The InChIKey is LOYKVORDAMUABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8-6-10(13)7-9(11(8)16-2)4-5-14-12(15)17-3/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate?
methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate has a molecular weight of 257.72 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 110789555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).