ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate

C13H18ClNO2 — CID 26602

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IUPACethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate
SMILESCCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-4-17-12(16)15-13(2,3)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyTZWKUQDQKPYNLL-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.41
Rot. Bonds4

About ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate

ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate (PubChem CID 26602) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate
PubChem CID26602
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Nameethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate
SMILESCCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-4-17-12(16)15-13(2,3)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyTZWKUQDQKPYNLL-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 262939
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
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ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
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Ethyl (4-chlorobenzyl)carbamate
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N-(2-(4-Chlorophenyl)-1,1-dimethylethyl)acetamide
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Tert-butyl N-[2-(4-chlorophenyl)ethyl]carbamate
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Tert-butyl 2-(4-chlorophenyl)cyclopropylcarbamate
CID 67080543
(2-(4-Chlorophenyl)-2-fluoro-cyclopropyl)-carbamic acid tert-butyl ester
CID 59161499
[2-(4-Chloro-3-fluoro-phenyl)-ethyl]-carbamic acid ethyl ester
CID 66803927
N-(1-(4-Chloro-3-fluorophenyl)-2-methylpropan-2-YL)acetamide
CID 90022499
tert-butyl N-[1-(4-chlorophenyl)-3-fluorocyclobutyl]carbamate
CID 141491075
ethyl N-[1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 164034675

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate (CID 26602) is ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate is CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1.
What is the InChIKey of ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate?
The InChIKey is TZWKUQDQKPYNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-17-12(16)15-13(2,3)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate?
ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate has a molecular weight of 255.75 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 26602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).