2,6-dimethoxy-N-prop-2-enylbenzamide

C12H15NO3 — CID 3569670

IUPAC2,6-dimethoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C12H15NO3/c1-4-8-13-12(14)11-9(15-2)6-5-7-10(11)16-3/h4-7H,1,8H2,2-3H3,(H,13,14)
InChIKeyQRSZYURMQPMFDT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.62
Rot. Bonds5

About 2,6-dimethoxy-N-prop-2-enylbenzamide

2,6-dimethoxy-N-prop-2-enylbenzamide (PubChem CID 3569670) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,6-dimethoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-prop-2-enylbenzamide
PubChem CID3569670
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2,6-dimethoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C12H15NO3/c1-4-8-13-12(14)11-9(15-2)6-5-7-10(11)16-3/h4-7H,1,8H2,2-3H3,(H,13,14)
InChIKeyQRSZYURMQPMFDT-UHFFFAOYSA-N
XLogP1.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.62
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

2-methoxy-6-nitro-N-prop-2-enylbenzamide
CID 81420346
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428
3-methoxy-N-prop-2-enylquinoline-4-carboxamide
CID 110848197
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide
CID 110763144
2,6-dimethoxybenzohydrazide
CID 2806104
2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide
CID 54390814
(2,6-dimethoxyphenyl) (E)-4-oxo-4-(prop-2-enylamino)but-2-enoate
CID 91721580
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
3-(2-methoxyphenoxy)-N-prop-2-enylpropanamide
CID 17034572
2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide
CID 114154654

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-prop-2-enylbenzamide?
The IUPAC name of 2,6-dimethoxy-N-prop-2-enylbenzamide (CID 3569670) is 2,6-dimethoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for 2,6-dimethoxy-N-prop-2-enylbenzamide?
The canonical SMILES for 2,6-dimethoxy-N-prop-2-enylbenzamide is C=CCNC(=O)c1c(OC)cccc1OC.
What is the InChIKey of 2,6-dimethoxy-N-prop-2-enylbenzamide?
The InChIKey is QRSZYURMQPMFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-4-8-13-12(14)11-9(15-2)6-5-7-10(11)16-3/h4-7H,1,8H2,2-3H3,(H,13,14).
What are the key properties of 2,6-dimethoxy-N-prop-2-enylbenzamide?
2,6-dimethoxy-N-prop-2-enylbenzamide has a molecular weight of 221.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 3569670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).