propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate

C16H23NO4 — CID 13304010

IUPACpropan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate
SMILESC=Cc1cc(NC(=O)OC(C)C)cc(OCC)c1OCC
InChIInChI=1S/C16H23NO4/c1-6-12-9-13(17-16(18)21-11(4)5)10-14(19-7-2)15(12)20-8-3/h6,9-11H,1,7-8H2,2-5H3,(H,17,18)
InChIKeyZSTJUBOJJYMXMK-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.08
Rot. Bonds7

About propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate

propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate (PubChem CID 13304010) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate
PubChem CID13304010
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namepropan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate
SMILESC=Cc1cc(NC(=O)OC(C)C)cc(OCC)c1OCC
InChIInChI=1S/C16H23NO4/c1-6-12-9-13(17-16(18)21-11(4)5)10-14(19-7-2)15(12)20-8-3/h6,9-11H,1,7-8H2,2-5H3,(H,17,18)
InChIKeyZSTJUBOJJYMXMK-UHFFFAOYSA-N
XLogP4.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate
CID 13304013
propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
CID 13259854
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
2-acetamido-3-[3-ethoxy-2-hydroxy-5-(propan-2-yloxycarbonylamino)phenyl]sulfanylpropanoic acid
CID 101350829
ethyl N-(3-chloro-4,5-diethoxyphenyl)carbamate
CID 13303966
propan-2-yl N-(3,4-diethoxy-2-fluorophenyl)carbamate
CID 13454493
2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid
CID 86079719
propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate
CID 91552777
N-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-methylpropanamide
CID 13343277
methyl N-[5-(but-3-en-2-yloxycarbonylamino)-3-chloro-2-ethoxyphenyl]carbamate
CID 13421313
propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
CID 137476904

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate?
The IUPAC name of propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate (CID 13304010) is propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate is C=Cc1cc(NC(=O)OC(C)C)cc(OCC)c1OCC.
What is the InChIKey of propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate?
The InChIKey is ZSTJUBOJJYMXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-6-12-9-13(17-16(18)21-11(4)5)10-14(19-7-2)15(12)20-8-3/h6,9-11H,1,7-8H2,2-5H3,(H,17,18).
What are the key properties of propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate?
propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate has a molecular weight of 293.36 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate is sourced from PubChem (CID 13304010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).