phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate

C19H21NO4 — CID 3814252

IUPACphenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate
SMILESC=CCN(Cc1ccc(OC)c(OC)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C19H21NO4/c1-4-12-20(19(21)24-16-8-6-5-7-9-16)14-15-10-11-17(22-2)18(13-15)23-3/h4-11,13H,1,12,14H2,2-3H3
InChIKeyNVVZDFPYLNFQEC-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.89
Rot. Bonds7

About phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate

phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate (PubChem CID 3814252) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namephenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate
PubChem CID3814252
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namephenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate
SMILESC=CCN(Cc1ccc(OC)c(OC)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C19H21NO4/c1-4-12-20(19(21)24-16-8-6-5-7-9-16)14-15-10-11-17(22-2)18(13-15)23-3/h4-11,13H,1,12,14H2,2-3H3
InChIKeyNVVZDFPYLNFQEC-UHFFFAOYSA-N
XLogP3.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523
2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide
CID 52564335
phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate
CID 58659677
N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4976318
3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
CID 55917567
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-prop-2-enylbenzamide
CID 4032693
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 126836586
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55918463
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate?
The IUPAC name of phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate (CID 3814252) is phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate?
The canonical SMILES for phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate is C=CCN(Cc1ccc(OC)c(OC)c1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate?
The InChIKey is NVVZDFPYLNFQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-12-20(19(21)24-16-8-6-5-7-9-16)14-15-10-11-17(22-2)18(13-15)23-3/h4-11,13H,1,12,14H2,2-3H3.
What are the key properties of phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate?
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate has a molecular weight of 327.38 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 3814252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).