propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate

C12H17NO3 — CID 116655687

IUPACpropan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC(C)C)c(C)c1
InChIInChI=1S/C12H17NO3/c1-8(2)16-12(14)13-11-6-5-10(15-4)7-9(11)3/h5-8H,1-4H3,(H,13,14)
InChIKeyCMGHTKGWNQYWAS-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.96
Rot. Bonds3

About propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate

propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate (PubChem CID 116655687) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
PubChem CID116655687
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namepropan-2-yl N-(4-methoxy-2-methylphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC(C)C)c(C)c1
InChIInChI=1S/C12H17NO3/c1-8(2)16-12(14)13-11-6-5-10(15-4)7-9(11)3/h5-8H,1-4H3,(H,13,14)
InChIKeyCMGHTKGWNQYWAS-UHFFFAOYSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
N-(4-methoxy-2-methylphenyl)-2-sulfanylpropanamide
CID 107028771
4-(4-methoxy-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498313
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide
CID 55129910
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22889588
3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate?
The IUPAC name of propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate (CID 116655687) is propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate?
The canonical SMILES for propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate is COc1ccc(NC(=O)OC(C)C)c(C)c1.
What is the InChIKey of propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate?
The InChIKey is CMGHTKGWNQYWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(2)16-12(14)13-11-6-5-10(15-4)7-9(11)3/h5-8H,1-4H3,(H,13,14).
What are the key properties of propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate?
propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-methoxy-2-methylphenyl)carbamate is sourced from PubChem (CID 116655687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).