methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate

C14H21NO2 — CID 115190710

IUPACmethyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate
SMILESCCC(C)c1ccc(CCNC(=O)OC)cc1
InChIInChI=1S/C14H21NO2/c1-4-11(2)13-7-5-12(6-8-13)9-10-15-14(16)17-3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyFJBBVGIHTGBOCQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.10
Rot. Bonds5

About methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate

methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate (PubChem CID 115190710) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate
PubChem CID115190710
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate
SMILESCCC(C)c1ccc(CCNC(=O)OC)cc1
InChIInChI=1S/C14H21NO2/c1-4-11(2)13-7-5-12(6-8-13)9-10-15-14(16)17-3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyFJBBVGIHTGBOCQ-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide
CID 115162107
methyl N-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl]carbamate
CID 123881424
2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
CID 115260076
4-[2-(4-butan-2-ylphenyl)ethylamino]butanoic acid
CID 115218703
2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261083
tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate
CID 174316953
2-amino-3-[2-(4-butan-2-ylphenyl)ethylamino]propanoic acid
CID 115240826
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
N-[2-(4-butan-2-ylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194057
1-[(4-butan-2-ylphenyl)methyl]-3-propylurea
CID 110774875
2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 6737224
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate (CID 115190710) is methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate is CCC(C)c1ccc(CCNC(=O)OC)cc1.
What is the InChIKey of methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate?
The InChIKey is FJBBVGIHTGBOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11(2)13-7-5-12(6-8-13)9-10-15-14(16)17-3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16).
What are the key properties of methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate?
methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate has a molecular weight of 235.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate is sourced from PubChem (CID 115190710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).