propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate

C15H21NO3 — CID 13259854

IUPACpropan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
SMILESC=CCc1cc(NC(=O)OC(C)C)ccc1OCC
InChIInChI=1S/C15H21NO3/c1-5-7-12-10-13(8-9-14(12)18-6-2)16-15(17)19-11(3)4/h5,8-11H,1,6-7H2,2-4H3,(H,16,17)
InChIKeyLFWYKUXDDXOIRL-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.77
Rot. Bonds6

About propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate

propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate (PubChem CID 13259854) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
PubChem CID13259854
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namepropan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate
SMILESC=CCc1cc(NC(=O)OC(C)C)ccc1OCC
InChIInChI=1S/C15H21NO3/c1-5-7-12-10-13(8-9-14(12)18-6-2)16-15(17)19-11(3)4/h5,8-11H,1,6-7H2,2-4H3,(H,16,17)
InChIKeyLFWYKUXDDXOIRL-UHFFFAOYSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N-(3-ethenyl-4,5-diethoxyphenyl)carbamate
CID 13304010
2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid
CID 86079719
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
zinc;propan-2-yl N-(3,4-diethoxyphenyl)carbamate;N-[1-(sulfidocarbothioylamino)propan-2-yl]carbamodithioate
CID 87493196
propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate
CID 91552777
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
1,3-dibromopropan-2-yl N-(3,4-diethoxyphenyl)carbamate
CID 13421201
propan-2-yl N-(4-ethoxy-3,5-dimethoxyphenyl)carbamate
CID 13304013
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate?
The IUPAC name of propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate (CID 13259854) is propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate?
The canonical SMILES for propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate is C=CCc1cc(NC(=O)OC(C)C)ccc1OCC.
What is the InChIKey of propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate?
The InChIKey is LFWYKUXDDXOIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-7-12-10-13(8-9-14(12)18-6-2)16-15(17)19-11(3)4/h5,8-11H,1,6-7H2,2-4H3,(H,16,17).
What are the key properties of propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate?
propan-2-yl N-(4-ethoxy-3-prop-2-enylphenyl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.77, 6 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-ethoxy-3-prop-2-enylphenyl)carbamate is sourced from PubChem (CID 13259854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).