(3,5-dimethylphenyl) N-propan-2-ylcarbamate

C12H17NO2 — CID 54452790

IUPAC(3,5-dimethylphenyl) N-propan-2-ylcarbamate
SMILESCc1cc(C)cc(OC(=O)NC(C)C)c1
InChIInChI=1S/C12H17NO2/c1-8(2)13-12(14)15-11-6-9(3)5-10(4)7-11/h5-8H,1-4H3,(H,13,14)
InChIKeyWWCLCDIUMACEPP-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.80
Rot. Bonds2

About (3,5-dimethylphenyl) N-propan-2-ylcarbamate

(3,5-dimethylphenyl) N-propan-2-ylcarbamate (PubChem CID 54452790) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3,5-dimethylphenyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(3,5-dimethylphenyl) N-propan-2-ylcarbamate
PubChem CID54452790
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3,5-dimethylphenyl) N-propan-2-ylcarbamate
SMILESCc1cc(C)cc(OC(=O)NC(C)C)c1
InChIInChI=1S/C12H17NO2/c1-8(2)13-12(14)15-11-6-9(3)5-10(4)7-11/h5-8H,1-4H3,(H,13,14)
InChIKeyWWCLCDIUMACEPP-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl) N-methylcarbamate
CID 17563
(3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 158053906
(3,5-diphenylphenyl) N-propan-2-ylcarbamate
CID 44572190
[(2R)-2-[(3,5-dimethylphenoxy)carbonylamino]propyl] prop-2-enoate
CID 175015821
(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate
CID 117060576
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
CID 23447077
[3-(1-hydroxyethyl)-5-methylphenyl] N-methylcarbamate
CID 154515716
(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
CID 127551398
(3,5-dimethylphenyl) N-prop-1-enylcarbamate
CID 71409237
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 3678098
(3-phenylphenyl) N-propan-2-ylcarbamate
CID 11673293

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl) N-propan-2-ylcarbamate?
The IUPAC name of (3,5-dimethylphenyl) N-propan-2-ylcarbamate (CID 54452790) is (3,5-dimethylphenyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (3,5-dimethylphenyl) N-propan-2-ylcarbamate?
The canonical SMILES for (3,5-dimethylphenyl) N-propan-2-ylcarbamate is Cc1cc(C)cc(OC(=O)NC(C)C)c1.
What is the InChIKey of (3,5-dimethylphenyl) N-propan-2-ylcarbamate?
The InChIKey is WWCLCDIUMACEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)13-12(14)15-11-6-9(3)5-10(4)7-11/h5-8H,1-4H3,(H,13,14).
What are the key properties of (3,5-dimethylphenyl) N-propan-2-ylcarbamate?
(3,5-dimethylphenyl) N-propan-2-ylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 54452790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).