tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate

C15H22ClNO3 — CID 102538086

IUPACtert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate
SMILESCC(C)Oc1ccc(Cl)cc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H22ClNO3/c1-10(2)19-13-7-6-12(16)8-11(13)9-17-14(18)20-15(3,4)5/h6-8,10H,9H2,1-5H3,(H,17,18)
InChIKeyFFQASSKQBTYGFY-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate

tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate (PubChem CID 102538086) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate
PubChem CID102538086
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Nametert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate
SMILESCC(C)Oc1ccc(Cl)cc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H22ClNO3/c1-10(2)19-13-7-6-12(16)8-11(13)9-17-14(18)20-15(3,4)5/h6-8,10H,9H2,1-5H3,(H,17,18)
InChIKeyFFQASSKQBTYGFY-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
CID 59463172
4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 7146376
tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate
CID 70852333
tert-butyl N-[2-[(5-chloro-2-hydroxyphenyl)methylamino]-3-methylbutyl]carbamate
CID 107254174
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125440613
(2S)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125440627
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990119
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
tert-butyl N-[2-[(5-chloro-2-fluorophenyl)methylamino]-2-methylpropyl]carbamate
CID 103844995
tert-butyl N-[[5-(dimethoxymethyl)-2-fluorophenyl]methyl]carbamate
CID 20777475
tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate
CID 123920794

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate (CID 102538086) is tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate is CC(C)Oc1ccc(Cl)cc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate?
The InChIKey is FFQASSKQBTYGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10(2)19-13-7-6-12(16)8-11(13)9-17-14(18)20-15(3,4)5/h6-8,10H,9H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate?
tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate has a molecular weight of 299.80 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate is sourced from PubChem (CID 102538086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).