2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate

C18H25Cl2NO3 — CID 66896835

IUPAC2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate
SMILESCOCCc1cc(Cl)c(Cl)c(CN(C(=O)OCC(C)C)C2CC2)c1
InChIInChI=1S/C18H25Cl2NO3/c1-12(2)11-24-18(22)21(15-4-5-15)10-14-8-13(6-7-23-3)9-16(19)17(14)20/h8-9,12,15H,4-7,10-11H2,1-3H3
InChIKeyROFDGFNFWXYHMJ-UHFFFAOYSA-N
MW374.31 g/mol
LogP4.94
Rot. Bonds8

About 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate

2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate (PubChem CID 66896835) has the molecular formula C18H25Cl2NO3 and a molecular weight of 374.31 g/mol. Its IUPAC name is 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate
PubChem CID66896835
Molecular FormulaC18H25Cl2NO3
Molecular Weight374.31 g/mol
Exact Mass373.12
IUPAC Name2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate
SMILESCOCCc1cc(Cl)c(Cl)c(CN(C(=O)OCC(C)C)C2CC2)c1
InChIInChI=1S/C18H25Cl2NO3/c1-12(2)11-24-18(22)21(15-4-5-15)10-14-8-13(6-7-23-3)9-16(19)17(14)20/h8-9,12,15H,4-7,10-11H2,1-3H3
InChIKeyROFDGFNFWXYHMJ-UHFFFAOYSA-N
XLogP4.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate?
The IUPAC name of 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate (CID 66896835) is 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate is COCCc1cc(Cl)c(Cl)c(CN(C(=O)OCC(C)C)C2CC2)c1.
What is the InChIKey of 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate?
The InChIKey is ROFDGFNFWXYHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2NO3/c1-12(2)11-24-18(22)21(15-4-5-15)10-14-8-13(6-7-23-3)9-16(19)17(14)20/h8-9,12,15H,4-7,10-11H2,1-3H3.
What are the key properties of 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate?
2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate has a molecular weight of 374.31 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 66896835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).