methyl N-(4-butylphenyl)carbamate

C12H17NO2 — CID 2169720

IUPACmethyl N-(4-butylphenyl)carbamate
SMILESCCCCc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C12H17NO2/c1-3-4-5-10-6-8-11(9-7-10)13-12(14)15-2/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeySPPFBNMAZMWLEL-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.21
Rot. Bonds4

About methyl N-(4-butylphenyl)carbamate

methyl N-(4-butylphenyl)carbamate (PubChem CID 2169720) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl N-(4-butylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-butylphenyl)carbamate
PubChem CID2169720
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl N-(4-butylphenyl)carbamate
SMILESCCCCc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C12H17NO2/c1-3-4-5-10-6-8-11(9-7-10)13-12(14)15-2/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeySPPFBNMAZMWLEL-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-butylphenyl)carbamate?
The IUPAC name of methyl N-(4-butylphenyl)carbamate (CID 2169720) is methyl N-(4-butylphenyl)carbamate.
What is the SMILES notation for methyl N-(4-butylphenyl)carbamate?
The canonical SMILES for methyl N-(4-butylphenyl)carbamate is CCCCc1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-(4-butylphenyl)carbamate?
The InChIKey is SPPFBNMAZMWLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-5-10-6-8-11(9-7-10)13-12(14)15-2/h6-9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of methyl N-(4-butylphenyl)carbamate?
methyl N-(4-butylphenyl)carbamate has a molecular weight of 207.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-butylphenyl)carbamate is sourced from PubChem (CID 2169720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).