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

C17H23Cl2NO3 — CID 66897112

IUPACtert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cc(CCO)cc(Cl)c1Cl)C1CC1
InChIInChI=1S/C17H23Cl2NO3/c1-17(2,3)23-16(22)20(13-4-5-13)10-12-8-11(6-7-21)9-14(18)15(12)19/h8-9,13,21H,4-7,10H2,1-3H3
InChIKeyYGBLYEGDKRTXOE-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.43
Rot. Bonds5

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

tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate (PubChem CID 66897112) has the molecular formula C17H23Cl2NO3 and a molecular weight of 360.28 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate
PubChem CID66897112
Molecular FormulaC17H23Cl2NO3
Molecular Weight360.28 g/mol
Exact Mass359.11
IUPAC Nametert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cc(CCO)cc(Cl)c1Cl)C1CC1
InChIInChI=1S/C17H23Cl2NO3/c1-17(2,3)23-16(22)20(13-4-5-13)10-12-8-11(6-7-21)9-14(18)15(12)19/h8-9,13,21H,4-7,10H2,1-3H3
InChIKeyYGBLYEGDKRTXOE-UHFFFAOYSA-N
XLogP4.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate (CID 66897112) is tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)N(Cc1cc(CCO)cc(Cl)c1Cl)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate?
The InChIKey is YGBLYEGDKRTXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO3/c1-17(2,3)23-16(22)20(13-4-5-13)10-12-8-11(6-7-21)9-14(18)15(12)19/h8-9,13,21H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate?
tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate has a molecular weight of 360.28 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(2-hydroxyethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 66897112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).