(4-ethyl-3-methylphenyl) carbamate

C10H13NO2 — CID 3027931

IUPAC(4-ethyl-3-methylphenyl) carbamate
SMILESCCc1ccc(OC(N)=O)cc1C
InChIInChI=1S/C10H13NO2/c1-3-8-4-5-9(6-7(8)2)13-10(11)12/h4-6H,3H2,1-2H3,(H2,11,12)
InChIKeyBXKLNWJVFXKXFC-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.01
Rot. Bonds2

About (4-ethyl-3-methylphenyl) carbamate

(4-ethyl-3-methylphenyl) carbamate (PubChem CID 3027931) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4-ethyl-3-methylphenyl) carbamate.

Molecular Properties

Compound Name(4-ethyl-3-methylphenyl) carbamate
PubChem CID3027931
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4-ethyl-3-methylphenyl) carbamate
SMILESCCc1ccc(OC(N)=O)cc1C
InChIInChI=1S/C10H13NO2/c1-3-8-4-5-9(6-7(8)2)13-10(11)12/h4-6H,3H2,1-2H3,(H2,11,12)
InChIKeyBXKLNWJVFXKXFC-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Promecarb
CID 17516
Metolcarb
CID 14322
M-Cumenyl Methylcarbamate
CID 6143
m-(1-Methylbutyl)phenyl methylcarbamate
CID 16787
2,3,5-Trimethylphenyl Methylcarbamate
CID 25550
3,5-Xylyl Methylcarbamate
CID 17563
Diphenan
CID 7572
Xylylcarb
CID 17040
M-(1-Ethylpropyl)phenyl methylcarbamate
CID 12643
Phenol, 3,5-bis(1-methylethyl)-, 1-(N-methylcarbamate)
CID 9503
5,6,7,8-Tetrahydro-1-naphthyl methylcarbamate
CID 14344
Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
CID 13072

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methylphenyl) carbamate?
The IUPAC name of (4-ethyl-3-methylphenyl) carbamate (CID 3027931) is (4-ethyl-3-methylphenyl) carbamate.
What is the SMILES notation for (4-ethyl-3-methylphenyl) carbamate?
The canonical SMILES for (4-ethyl-3-methylphenyl) carbamate is CCc1ccc(OC(N)=O)cc1C.
What is the InChIKey of (4-ethyl-3-methylphenyl) carbamate?
The InChIKey is BXKLNWJVFXKXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-8-4-5-9(6-7(8)2)13-10(11)12/h4-6H,3H2,1-2H3,(H2,11,12).
What are the key properties of (4-ethyl-3-methylphenyl) carbamate?
(4-ethyl-3-methylphenyl) carbamate has a molecular weight of 179.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methylphenyl) carbamate is sourced from PubChem (CID 3027931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).