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

C17H23Cl2NO3 — CID 66895810

IUPAC2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)COC(=O)N(Cc1cc(CCO)cc(Cl)c1Cl)C1CC1
InChIInChI=1S/C17H23Cl2NO3/c1-11(2)10-23-17(22)20(14-3-4-14)9-13-7-12(5-6-21)8-15(18)16(13)19/h7-8,11,14,21H,3-6,9-10H2,1-2H3
InChIKeyFQYQWMLDWGAWRF-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.29
Rot. Bonds7

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

2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate (PubChem CID 66895810) has the molecular formula C17H23Cl2NO3 and a molecular weight of 360.28 g/mol. Its IUPAC name is 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate
PubChem CID66895810
Molecular FormulaC17H23Cl2NO3
Molecular Weight360.28 g/mol
Exact Mass359.11
IUPAC Name2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)COC(=O)N(Cc1cc(CCO)cc(Cl)c1Cl)C1CC1
InChIInChI=1S/C17H23Cl2NO3/c1-11(2)10-23-17(22)20(14-3-4-14)9-13-7-12(5-6-21)8-15(18)16(13)19/h7-8,11,14,21H,3-6,9-10H2,1-2H3
InChIKeyFQYQWMLDWGAWRF-UHFFFAOYSA-N
XLogP4.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

tert-butyl N-[(2S)-2-(3,4-dichlorophenyl)-1-hydroxypent-4-en-2-yl]-N-methylcarbamate
CID 58696293
Tert-butyl[1-(3,4-dichlorophenyl)-1-hydroxymethyl-3-butenyl]methylcarbamate
CID 58696361
Tert-butyl-[1-(2,3-dichlorophenyl)-3-hydroxypropyl]carbamic acid
CID 66671699
tert-Butyl (5-allyl-2,3-dichlorobenzyl)cyclopropylcarbamate
CID 66761816
tert-butyl N-[1-(3,4-dichlorophenyl)-4-hydroxybutyl]-N-methylcarbamate
CID 66790471
1,1-Dimethylethyl cyclopropyl[(2,3-dichloro-5-ethenylphenyl)methyl]carbamate
CID 66895414
Cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid
CID 66895809
1,1-Dimethylethyl cyclopropyl{[2,3-dichloro-5-(hydroxymethyl)phenyl]methyl}carbamate
CID 66896138
Cyclopropyl-[1-[2,3-dichloro-5-(2-methoxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid
CID 66896834
2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethyl)phenyl]methyl]carbamate
CID 66896835
tert-butyl N-cyclopropyl-N-[(2,3-dichloro-5-ethenylphenyl)methyl]carbamate;tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate
CID 66897111
1,1-Dimethylethyl cyclopropyl{[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl}carbamate
CID 66897112

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate?
The IUPAC name of 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate (CID 66895810) is 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate is CC(C)COC(=O)N(Cc1cc(CCO)cc(Cl)c1Cl)C1CC1.
What is the InChIKey of 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate?
The InChIKey is FQYQWMLDWGAWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO3/c1-11(2)10-23-17(22)20(14-3-4-14)9-13-7-12(5-6-21)8-15(18)16(13)19/h7-8,11,14,21H,3-6,9-10H2,1-2H3.
What are the key properties of 2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate?
2-methylpropyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate has a molecular weight of 360.28 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 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-hydroxyethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 66895810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).