(3-butan-2-ylphenyl) N-methylcarbamate

C12H17NO2 — CID 12655

IUPAC(3-butan-2-ylphenyl) N-methylcarbamate
SMILESCCC(C)c1cccc(OC(=O)NC)c1
InChIInChI=1S/C12H17NO2/c1-4-9(2)10-6-5-7-11(8-10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyNTZPCBGVBWXEOC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.92
Rot. Bonds3

About (3-butan-2-ylphenyl) N-methylcarbamate

(3-butan-2-ylphenyl) N-methylcarbamate (PubChem CID 12655) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3-butan-2-ylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(3-butan-2-ylphenyl) N-methylcarbamate
PubChem CID12655
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3-butan-2-ylphenyl) N-methylcarbamate
SMILESCCC(C)c1cccc(OC(=O)NC)c1
InChIInChI=1S/C12H17NO2/c1-4-9(2)10-6-5-7-11(8-10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKeyNTZPCBGVBWXEOC-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-butan-2-ylphenyl) N-methylcarbamate?
The IUPAC name of (3-butan-2-ylphenyl) N-methylcarbamate (CID 12655) is (3-butan-2-ylphenyl) N-methylcarbamate.
What is the SMILES notation for (3-butan-2-ylphenyl) N-methylcarbamate?
The canonical SMILES for (3-butan-2-ylphenyl) N-methylcarbamate is CCC(C)c1cccc(OC(=O)NC)c1.
What is the InChIKey of (3-butan-2-ylphenyl) N-methylcarbamate?
The InChIKey is NTZPCBGVBWXEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9(2)10-6-5-7-11(8-10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14).
What are the key properties of (3-butan-2-ylphenyl) N-methylcarbamate?
(3-butan-2-ylphenyl) N-methylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-ylphenyl) N-methylcarbamate is sourced from PubChem (CID 12655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).