(3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate

C13H19NO3 — CID 158053906

IUPAC(3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate
SMILESCOc1cc(OC(=O)NC(C)C)cc(C)c1C
InChIInChI=1S/C13H19NO3/c1-8(2)14-13(15)17-11-6-9(3)10(4)12(7-11)16-5/h6-8H,1-5H3,(H,14,15)
InChIKeySYRNGPHUSCJYRJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.81
Rot. Bonds3

About (3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate

(3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate (PubChem CID 158053906) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate
PubChem CID158053906
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate
SMILESCOc1cc(OC(=O)NC(C)C)cc(C)c1C
InChIInChI=1S/C13H19NO3/c1-8(2)14-13(15)17-11-6-9(3)10(4)12(7-11)16-5/h6-8H,1-5H3,(H,14,15)
InChIKeySYRNGPHUSCJYRJ-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate
CID 117060576
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
CID 25549
(3,5-diphenylphenyl) N-propan-2-ylcarbamate
CID 44572190
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
[2-chloro-5-(2-methoxy-4,6-dimethylphenyl)phenyl] N-propan-2-ylcarbamate
CID 11493997
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
1-methoxy-2,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]benzene
CID 67518349
2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid
CID 10099481
(3,4-dimethoxy-5-methylphenyl) carbamate
CID 137496304
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
CID 60666505

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate?
The IUPAC name of (3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate (CID 158053906) is (3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate?
The canonical SMILES for (3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate is COc1cc(OC(=O)NC(C)C)cc(C)c1C.
What is the InChIKey of (3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate?
The InChIKey is SYRNGPHUSCJYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)14-13(15)17-11-6-9(3)10(4)12(7-11)16-5/h6-8H,1-5H3,(H,14,15).
What are the key properties of (3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate?
(3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4,5-dimethylphenyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 158053906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).