N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide

C16H15NO3 — CID 785916

IUPACN-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
SMILESC1OC2=C(O1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3
InChIInChI=1S/C16H15NO3/c18-16(9-6-12-4-2-1-3-5-12)17-13-7-8-14-15(10-13)20-11-19-14/h1-5,7-8,10H,6,9,11H2,(H,17,18)
InChIKeyARGUDMNMNVCNSC-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.80
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide

N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide (PubChem CID 785916) has the molecular formula C16H15NO3 and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
PubChem CID785916
Molecular FormulaC16H15NO3
Molecular Weight269.29 g/mol
Exact Mass269.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
SMILESC1OC2=C(O1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3
InChIInChI=1S/C16H15NO3/c18-16(9-6-12-4-2-1-3-5-12)17-13-7-8-14-15(10-13)20-11-19-14/h1-5,7-8,10H,6,9,11H2,(H,17,18)
InChIKeyARGUDMNMNVCNSC-UHFFFAOYSA-N
XLogP2.80
TPSA47.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity328

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-1,3-Benzodioxol-5-yl-2-((2-chloroacetyl)amino)benzamide
CID 2393470
N-(3-methoxyphenyl)-2-phenylacetamide
CID 795356
N-(3-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669571
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(1,3-benzodioxol-5-yl)cyclohexanecarboxamide
CID 823577
N-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamide
CID 970896
N-(1,3-benzodioxol-5-yl)-2-ethylsulfanylbenzamide
CID 1094117
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231
N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
CID 2225277

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide (CID 785916) is N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide is C1OC2=C(O1)C=C(C=C2)NC(=O)CCC3=CC=CC=C3.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide?
The InChIKey is ARGUDMNMNVCNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-16(9-6-12-4-2-1-3-5-12)17-13-7-8-14-15(10-13)20-11-19-14/h1-5,7-8,10H,6,9,11H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide?
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide has a molecular weight of 269.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 785916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).