2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide

C19H24N2O4 — CID 110280239

IUPAC2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H24N2O4/c1-4-10-21(11-5-2)19(23)14(3)20-18(22)9-7-15-6-8-16-17(12-15)25-13-24-16/h4-6,8,12,14H,1-2,7,9-11,13H2,3H3,(H,20,22)
InChIKeyBAGVONPXBOIARJ-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.05
Rot. Bonds9

About 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide

2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide (PubChem CID 110280239) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide
PubChem CID110280239
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H24N2O4/c1-4-10-21(11-5-2)19(23)14(3)20-18(22)9-7-15-6-8-16-17(12-15)25-13-24-16/h4-6,8,12,14H,1-2,7,9-11,13H2,3H3,(H,20,22)
InChIKeyBAGVONPXBOIARJ-UHFFFAOYSA-N
XLogP2.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.05
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

3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 94064618
3-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46421676
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
CID 18121372
3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417966
3-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 132651011
N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
CID 51276777
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 93239790
3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60930540
3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 42925146
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 95049494
3-(1,3-benzodioxol-5-yl)-N-(4-hydroxypentyl)propanamide
CID 107300178

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide (CID 110280239) is 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)C(C)NC(=O)CCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is BAGVONPXBOIARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-10-21(11-5-2)19(23)14(3)20-18(22)9-7-15-6-8-16-17(12-15)25-13-24-16/h4-6,8,12,14H,1-2,7,9-11,13H2,3H3,(H,20,22).
What are the key properties of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide?
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 344.41 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 110280239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).