2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate

C19H26ClNO2 — CID 6735740

IUPAC2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate
SMILESCC(C)=CC1C(CNC(=O)OCCc2ccccc2Cl)C1(C)C
InChIInChI=1S/C19H26ClNO2/c1-13(2)11-15-16(19(15,3)4)12-21-18(22)23-10-9-14-7-5-6-8-17(14)20/h5-8,11,15-16H,9-10,12H2,1-4H3,(H,21,22)
InChIKeyACJPOKOJNZQIEJ-UHFFFAOYSA-N
MW335.88 g/mol
LogP4.85
Rot. Bonds6

About 2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate

2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate (PubChem CID 6735740) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Name2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate
PubChem CID6735740
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate
SMILESCC(C)=CC1C(CNC(=O)OCCc2ccccc2Cl)C1(C)C
InChIInChI=1S/C19H26ClNO2/c1-13(2)11-15-16(19(15,3)4)12-21-18(22)23-10-9-14-7-5-6-8-17(14)20/h5-8,11,15-16H,9-10,12H2,1-4H3,(H,21,22)
InChIKeyACJPOKOJNZQIEJ-UHFFFAOYSA-N
XLogP4.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate?
The IUPAC name of 2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate (CID 6735740) is 2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for 2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for 2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate is CC(C)=CC1C(CNC(=O)OCCc2ccccc2Cl)C1(C)C.
What is the InChIKey of 2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate?
The InChIKey is ACJPOKOJNZQIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO2/c1-13(2)11-15-16(19(15,3)4)12-21-18(22)23-10-9-14-7-5-6-8-17(14)20/h5-8,11,15-16H,9-10,12H2,1-4H3,(H,21,22).
What are the key properties of 2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate?
2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate has a molecular weight of 335.88 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)ethyl N-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 6735740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).