(2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate

C14H18ClNO3 — CID 2799236

IUPAC(2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate
SMILESCC(=O)C(C)(C)OC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-10(17)14(2,3)19-13(18)16-9-8-11-4-6-12(15)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyOXTMXHLOLKBSOX-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.98
Rot. Bonds5

About (2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate

(2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate (PubChem CID 2799236) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name(2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate
PubChem CID2799236
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate
SMILESCC(=O)C(C)(C)OC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-10(17)14(2,3)19-13(18)16-9-8-11-4-6-12(15)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyOXTMXHLOLKBSOX-UHFFFAOYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxocyclopent-2-en-1-yl]carbamate
CID 58602378
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
CID 155559606
tert-butyl N-[2-(3,4-dichlorophenyl)ethyl]carbamate
CID 11818593
tert-butyl N-[2-amino-1-(4-chlorophenyl)ethyl]carbamate
CID 57750386
tert-butyl N-[(1S)-1-(4-chlorophenyl)-2-fluoroethyl]carbamate
CID 25030687
tert-butyl N-[2-(4-chlorophenyl)-4,4-difluorobutyl]carbamate
CID 154707015
Tert-butyl N-[2-(4-chlorophenyl)ethyl]carbamate
CID 10562991
tert-butyl N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]carbamate
CID 20662196
Tert-butyl 2-(4-chlorophenyl)cyclopropylcarbamate
CID 67080543
tert-butyl N-[2-(2-chloro-4-fluorophenyl)ethyl]carbamate
CID 12117734
tert-butyl N-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]carbamate
CID 13320144
tert-butyl N-[2-(4-chlorophenyl)-3-fluoroprop-2-enyl]carbamate
CID 54296057

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate?
The IUPAC name of (2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate (CID 2799236) is (2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for (2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate?
The canonical SMILES for (2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate is CC(=O)C(C)(C)OC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of (2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate?
The InChIKey is OXTMXHLOLKBSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10(17)14(2,3)19-13(18)16-9-8-11-4-6-12(15)7-5-11/h4-7H,8-9H2,1-3H3,(H,16,18).
What are the key properties of (2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate?
(2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate has a molecular weight of 283.75 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-oxobutan-2-yl) N-[2-(4-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 2799236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).