N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide

C19H20N2O4 — CID 110370617

IUPACN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O4/c22-18(9-6-14-4-2-1-3-5-14)20-11-10-19(23)21-15-7-8-16-17(12-15)25-13-24-16/h1-5,7-8,12H,6,9-11,13H2,(H,20,22)(H,21,23)
InChIKeyLFGNJASBEJQRNI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.49
Rot. Bonds7

About N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide

N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide (PubChem CID 110370617) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
PubChem CID110370617
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O4/c22-18(9-6-14-4-2-1-3-5-14)20-11-10-19(23)21-15-7-8-16-17(12-15)25-13-24-16/h1-5,7-8,12H,6,9-11,13H2,(H,20,22)(H,21,23)
InChIKeyLFGNJASBEJQRNI-UHFFFAOYSA-N
XLogP2.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)-3-(benzylcarbamoylamino)propanamide
CID 35046151
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-(4-methoxyphenyl)propanamide
CID 110370645
benzyl N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamate
CID 110370640
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-3-phenylpropanamide
CID 113050236
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
N-(1,3-benzodioxol-5-yl)-3-benzylsulfonylpropanamide
CID 2226482
N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide
CID 27648509
N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
CID 16818279

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide (CID 110370617) is N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide?
The InChIKey is LFGNJASBEJQRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(9-6-14-4-2-1-3-5-14)20-11-10-19(23)21-15-7-8-16-17(12-15)25-13-24-16/h1-5,7-8,12H,6,9-11,13H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide?
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide has a molecular weight of 340.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide is sourced from PubChem (CID 110370617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).