methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate

C18H20ClNO3 — CID 126587706

IUPACmethyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
SMILESCCc1ccc(OCc2c(C)cccc2NC(=O)OC)c(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-4-13-8-9-17(15(19)10-13)23-11-14-12(2)6-5-7-16(14)20-18(21)22-3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyOHWPFZGQWCBDQE-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.97
Rot. Bonds5

About methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate

methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate (PubChem CID 126587706) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
PubChem CID126587706
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Namemethyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
SMILESCCc1ccc(OCc2c(C)cccc2NC(=O)OC)c(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-4-13-8-9-17(15(19)10-13)23-11-14-12(2)6-5-7-16(14)20-18(21)22-3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyOHWPFZGQWCBDQE-UHFFFAOYSA-N
XLogP4.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-bromo-2-[(2-chloro-4-ethylphenoxy)methyl]phenyl]carbamate
CID 126587713
methyl N-[3-chloro-2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]phenyl]carbamate
CID 126588620
N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 126588428
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl]carbamothioate
CID 126587842
methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate
CID 126588359
methyl N-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-ethylphenyl]carbamate
CID 126588372
methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-chlorophenyl]carbamate
CID 129038323
methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate
CID 129038513
fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate
CID 126589277
[3-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122649377
O-methyl N-[2-[(2,4-diethylphenoxy)methyl]-3-ethylphenyl]carbamothioate
CID 126588081
[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate
CID 122649822

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate?
The IUPAC name of methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate (CID 126587706) is methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate?
The canonical SMILES for methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate is CCc1ccc(OCc2c(C)cccc2NC(=O)OC)c(Cl)c1.
What is the InChIKey of methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate?
The InChIKey is OHWPFZGQWCBDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-4-13-8-9-17(15(19)10-13)23-11-14-12(2)6-5-7-16(14)20-18(21)22-3/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate?
methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate has a molecular weight of 333.82 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate is sourced from PubChem (CID 126587706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).