prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate

C12H15NO4 — CID 91737375

IUPACprop-2-enyl N-(2,4-dimethoxyphenyl)carbamate
SMILESC=CCOC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C12H15NO4/c1-4-7-17-12(14)13-10-6-5-9(15-2)8-11(10)16-3/h4-6,8H,1,7H2,2-3H3,(H,13,14)
InChIKeyINEFOKJLTSNGHR-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.44
Rot. Bonds5

About prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate

prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate (PubChem CID 91737375) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2,4-dimethoxyphenyl)carbamate
PubChem CID91737375
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameprop-2-enyl N-(2,4-dimethoxyphenyl)carbamate
SMILESC=CCOC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C12H15NO4/c1-4-7-17-12(14)13-10-6-5-9(15-2)8-11(10)16-3/h4-6,8H,1,7H2,2-3H3,(H,13,14)
InChIKeyINEFOKJLTSNGHR-UHFFFAOYSA-N
XLogP2.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide
CID 109012115
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
prop-2-enyl N-(2-iodo-4-methylphenyl)carbamate
CID 6426310
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
3-amino-N-(2,4-dimethoxyphenyl)-3-iminopropanamide
CID 99990373
propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate
CID 24885232

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate?
The IUPAC name of prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate (CID 91737375) is prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate?
The canonical SMILES for prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate is C=CCOC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate?
The InChIKey is INEFOKJLTSNGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-4-7-17-12(14)13-10-6-5-9(15-2)8-11(10)16-3/h4-6,8H,1,7H2,2-3H3,(H,13,14).
What are the key properties of prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate?
prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate has a molecular weight of 237.25 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate is sourced from PubChem (CID 91737375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).