2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide

C16H20N2O4 — CID 26217588

IUPAC2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide
SMILESC=CCN(CC=C)C(=O)COc1c(OC)cccc1C(N)=O
InChIInChI=1S/C16H20N2O4/c1-4-9-18(10-5-2)14(19)11-22-15-12(16(17)20)7-6-8-13(15)21-3/h4-8H,1-2,9-11H2,3H3,(H2,17,20)
InChIKeyCBRZBHWSXGSJJF-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.37
Rot. Bonds9

About 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide

2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide (PubChem CID 26217588) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide.

Molecular Properties

Compound Name2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide
PubChem CID26217588
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide
SMILESC=CCN(CC=C)C(=O)COc1c(OC)cccc1C(N)=O
InChIInChI=1S/C16H20N2O4/c1-4-9-18(10-5-2)14(19)11-22-15-12(16(17)20)7-6-8-13(15)21-3/h4-8H,1-2,9-11H2,3H3,(H2,17,20)
InChIKeyCBRZBHWSXGSJJF-UHFFFAOYSA-N
XLogP1.37
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.37
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

2,3-dimethoxybenzamide;hydrate
CID 141005510
2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
CID 82253483
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide
CID 7893883
3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 42904343
2-[2-(2,6-diethylanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 46796577
3-methoxy-2-(2-methylprop-2-enoxy)benzoic acid
CID 61379741
2-(2,6-dimethoxyphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767254
2-ethenyl-3-methoxybenzamide
CID 177056846
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479
2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide
CID 47066495
2,3-bis(2-methoxyethoxy)benzamide
CID 175291641
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 25441341

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide?
The IUPAC name of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide (CID 26217588) is 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide.
What is the SMILES notation for 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide?
The canonical SMILES for 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide is C=CCN(CC=C)C(=O)COc1c(OC)cccc1C(N)=O.
What is the InChIKey of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide?
The InChIKey is CBRZBHWSXGSJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-9-18(10-5-2)14(19)11-22-15-12(16(17)20)7-6-8-13(15)21-3/h4-8H,1-2,9-11H2,3H3,(H2,17,20).
What are the key properties of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide?
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide has a molecular weight of 304.35 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide is sourced from PubChem (CID 26217588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).