propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate

C15H23NO4 — CID 13304051

IUPACpropan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate
SMILESCCOc1c(C)cc(NC(=O)OC(C)C)cc1COC
InChIInChI=1S/C15H23NO4/c1-6-19-14-11(4)7-13(8-12(14)9-18-5)16-15(17)20-10(2)3/h7-8,10H,6,9H2,1-5H3,(H,16,17)
InChIKeyMDSRTWKNMSHEPN-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.50
Rot. Bonds6

About propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate

propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate (PubChem CID 13304051) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate
PubChem CID13304051
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namepropan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate
SMILESCCOc1c(C)cc(NC(=O)OC(C)C)cc1COC
InChIInChI=1S/C15H23NO4/c1-6-19-14-11(4)7-13(8-12(14)9-18-5)16-15(17)20-10(2)3/h7-8,10H,6,9H2,1-5H3,(H,16,17)
InChIKeyMDSRTWKNMSHEPN-UHFFFAOYSA-N
XLogP3.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate
CID 13304013
propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
CID 13303908
N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]propanamide
CID 13343257
propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate
CID 13304010
propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
CID 137476904
N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 100690476
(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696262
(2R)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696250
propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
CID 13259854
N-(4-ethoxy-3,5-dimethylphenyl)benzamide
CID 13343221
propan-2-yl N-[3-chloro-4-ethoxy-5-(methoxymethyl)phenyl]-N-hydroxycarbamate
CID 15593134
but-3-ynyl N-(4-ethoxy-3,5-dimethylphenyl)carbamate
CID 13303915

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate (CID 13304051) is propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate is CCOc1c(C)cc(NC(=O)OC(C)C)cc1COC.
What is the InChIKey of propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate?
The InChIKey is MDSRTWKNMSHEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-6-19-14-11(4)7-13(8-12(14)9-18-5)16-15(17)20-10(2)3/h7-8,10H,6,9H2,1-5H3,(H,16,17).
What are the key properties of propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate?
propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate has a molecular weight of 281.35 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate is sourced from PubChem (CID 13304051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).