tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate

C19H27ClN2O4 — CID 67148615

IUPACtert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate
SMILESCNC(=O)OCCc1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C2CC2)c1
InChIInChI=1S/C19H27ClN2O4/c1-19(2,3)26-18(24)22(15-6-7-15)12-14-11-13(5-8-16(14)20)9-10-25-17(23)21-4/h5,8,11,15H,6-7,9-10,12H2,1-4H3,(H,21,23)
InChIKeyZMUXVJFDRXICFH-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.14
Rot. Bonds6

About tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate

tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate (PubChem CID 67148615) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate
PubChem CID67148615
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC Nametert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate
SMILESCNC(=O)OCCc1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C2CC2)c1
InChIInChI=1S/C19H27ClN2O4/c1-19(2,3)26-18(24)22(15-6-7-15)12-14-11-13(5-8-16(14)20)9-10-25-17(23)21-4/h5,8,11,15H,6-7,9-10,12H2,1-4H3,(H,21,23)
InChIKeyZMUXVJFDRXICFH-UHFFFAOYSA-N
XLogP4.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[4-chloro-3-(hydroxymethyl)phenyl]ethyl]-N-cyclopropylcarbamate
CID 67148487
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate
CID 67148684
tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate
CID 69079767
tert-butyl N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylphenyl]methyl]carbamate
CID 66896979
tert-butyl N-[(2-bromo-3-chlorophenyl)methyl]-N-cyclopropylcarbamate
CID 162786554
tert-butyl N-cyclopropyl-N-[(2,3-dichloro-5-prop-2-enylphenyl)methyl]carbamate
CID 66761816
methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 126676707
tert-butyl N-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcarbamate
CID 68506750
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
tert-butyl N-[(5-bromo-2-methylphenyl)methyl]-N-cyclopropylcarbamate
CID 138985574
tert-butyl N-cyclopropyl-N-[[2,3-dichloro-5-(3-cyanoprop-2-enyl)phenyl]methyl]carbamate
CID 66900731
tert-butyl 3-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl-cyclopropylcarbamoyl]-4-hydroxy-4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carboxylate
CID 67062186

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate (CID 67148615) is tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate is CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)OC(C)(C)C)C2CC2)c1.
What is the InChIKey of tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate?
The InChIKey is ZMUXVJFDRXICFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4/c1-19(2,3)26-18(24)22(15-6-7-15)12-14-11-13(5-8-16(14)20)9-10-25-17(23)21-4/h5,8,11,15H,6-7,9-10,12H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate?
tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate has a molecular weight of 382.89 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 67148615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).