tert-butyl N-(3-ethylphenyl)-N-methylcarbamate

C14H21NO2 — CID 167076497

IUPACtert-butyl N-(3-ethylphenyl)-N-methylcarbamate
SMILESCCc1cccc(N(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H21NO2/c1-6-11-8-7-9-12(10-11)15(5)13(16)17-14(2,3)4/h7-10H,6H2,1-5H3
InChIKeyOVAYWAQQXQTPFU-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.62
Rot. Bonds2

About tert-butyl N-(3-ethylphenyl)-N-methylcarbamate

tert-butyl N-(3-ethylphenyl)-N-methylcarbamate (PubChem CID 167076497) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is tert-butyl N-(3-ethylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethylphenyl)-N-methylcarbamate
PubChem CID167076497
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nametert-butyl N-(3-ethylphenyl)-N-methylcarbamate
SMILESCCc1cccc(N(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H21NO2/c1-6-11-8-7-9-12(10-11)15(5)13(16)17-14(2,3)4/h7-10H,6H2,1-5H3
InChIKeyOVAYWAQQXQTPFU-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylphenyl)-N-methylbenzamide
CID 90124245
tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane
CID 174369675
tert-butyl N-methyl-N-[3-(4-methylbenzoyl)phenyl]carbamate
CID 155465071
tert-butyl 2-(3-ethylphenyl)acetate
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tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
2-ethoxy-3-[4-[2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethoxy]phenyl]propanoic acid
CID 57039184
1-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethanesulfinic acid
CID 68585601
2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
CID 10730397
tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
CID 58695834
tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate
CID 145420366
tert-butyl N-amino-N-[3-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]carbamate
CID 70671905
tert-butyl N-[3-(5-formylfuran-2-yl)phenyl]-N-methylcarbamate
CID 156536295

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethylphenyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-ethylphenyl)-N-methylcarbamate (CID 167076497) is tert-butyl N-(3-ethylphenyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-ethylphenyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-ethylphenyl)-N-methylcarbamate is CCc1cccc(N(C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-(3-ethylphenyl)-N-methylcarbamate?
The InChIKey is OVAYWAQQXQTPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-6-11-8-7-9-12(10-11)15(5)13(16)17-14(2,3)4/h7-10H,6H2,1-5H3.
What are the key properties of tert-butyl N-(3-ethylphenyl)-N-methylcarbamate?
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate has a molecular weight of 235.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethylphenyl)-N-methylcarbamate is sourced from PubChem (CID 167076497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).