ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate

C13H18ClNO3 — CID 110782966

IUPACethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate
SMILESCCOC(=O)NCc1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C13H18ClNO3/c1-5-18-13(16)15-7-10-9(3)12(14)8(2)6-11(10)17-4/h6H,5,7H2,1-4H3,(H,15,16)
InChIKeyMBOYXVOZQUTJDQ-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.21
Rot. Bonds4

About ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate

ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate (PubChem CID 110782966) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate
PubChem CID110782966
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Nameethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate
SMILESCCOC(=O)NCc1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C13H18ClNO3/c1-5-18-13(16)15-7-10-9(3)12(14)8(2)6-11(10)17-4/h6H,5,7H2,1-4H3,(H,15,16)
InChIKeyMBOYXVOZQUTJDQ-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methylamino]propanoic acid
CID 98033447
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea
CID 110775927
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 110769484
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanethioamide
CID 83938122
N'-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195431
4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol
CID 82482793
N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 110789568
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol
CID 112513727
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide
CID 96679162
ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate
CID 82553188

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate?
The IUPAC name of ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate (CID 110782966) is ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate?
The canonical SMILES for ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate is CCOC(=O)NCc1c(OC)cc(C)c(Cl)c1C.
What is the InChIKey of ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate?
The InChIKey is MBOYXVOZQUTJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-5-18-13(16)15-7-10-9(3)12(14)8(2)6-11(10)17-4/h6H,5,7H2,1-4H3,(H,15,16).
What are the key properties of ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate?
ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate has a molecular weight of 271.74 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate is sourced from PubChem (CID 110782966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).