propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate

C14H21NO5 — CID 13304013

IUPACpropan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate
SMILESCCOc1c(OC)cc(NC(=O)OC(C)C)cc1OC
InChIInChI=1S/C14H21NO5/c1-6-19-13-11(17-4)7-10(8-12(13)18-5)15-14(16)20-9(2)3/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyHZEQXYGVHLQBFS-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.06
Rot. Bonds6

About propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate

propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate (PubChem CID 13304013) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate
PubChem CID13304013
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namepropan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate
SMILESCCOc1c(OC)cc(NC(=O)OC(C)C)cc1OC
InChIInChI=1S/C14H21NO5/c1-6-19-13-11(17-4)7-10(8-12(13)18-5)15-14(16)20-9(2)3/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyHZEQXYGVHLQBFS-UHFFFAOYSA-N
XLogP3.06
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate
CID 13304010
propan-2-yl N-(3-chloro-4-ethoxy-5-ethylphenyl)carbamate
CID 13303908
propan-2-yl N-[4-ethoxy-3-(methoxymethyl)-5-methylphenyl]carbamate
CID 13304051
propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
CID 137476904
4-ethoxy-N-ethyl-3,5-dimethoxyaniline
CID 23620608
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
CID 13259854
N-(3,5-dimethoxyphenyl)-3,4,5-triethoxybenzamide
CID 2182234
propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate
CID 13454493
2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid
CID 86079719
zinc;propan-2-yl N-(3,4-diethoxyphenyl)carbamate;N-[1-(sulfidocarbothioylamino)propan-2-yl]carbamodithioate
CID 87493196
2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 109009202

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate?
The IUPAC name of propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate (CID 13304013) is propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate?
The canonical SMILES for propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate is CCOc1c(OC)cc(NC(=O)OC(C)C)cc1OC.
What is the InChIKey of propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate?
The InChIKey is HZEQXYGVHLQBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-6-19-13-11(17-4)7-10(8-12(13)18-5)15-14(16)20-9(2)3/h7-9H,6H2,1-5H3,(H,15,16).
What are the key properties of propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate?
propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate has a molecular weight of 283.32 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate is sourced from PubChem (CID 13304013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).