(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate

C12H17NO2 — CID 17516

IUPAC(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
InChIKeyDTAPQAJKAFRNJB-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.84
Rot. Bonds2

About (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate

(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate (PubChem CID 17516) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
PubChem CID17516
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
InChIKeyDTAPQAJKAFRNJB-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Carbaryl
CID 6129
Fenobucarb
CID 19588
Isoprocarb
CID 17517
Metolcarb
CID 14322
M-Cumenyl Methylcarbamate
CID 6143
Terbucarb
CID 15967
m-(1-Methylbutyl)phenyl methylcarbamate
CID 16787
2,3,5-Trimethylphenyl Methylcarbamate
CID 25550
3,5-Xylyl Methylcarbamate
CID 17563
Butacarb
CID 17564
Xylylcarb
CID 17040
M-(1-Ethylpropyl)phenyl methylcarbamate
CID 12643

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate?
The IUPAC name of (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate (CID 17516) is (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate.
What is the SMILES notation for (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate?
The canonical SMILES for (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate is CNC(=O)Oc1cc(C)cc(C(C)C)c1.
What is the InChIKey of (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate?
The InChIKey is DTAPQAJKAFRNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14).
What are the key properties of (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate?
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate is sourced from PubChem (CID 17516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).