N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide

C23H21NO3 — CID 51276777

IUPACN-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(14-12-17-11-13-20-21(15-17)27-16-26-20)24-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-11,13,15,23H,12,14,16H2,(H,24,25)
InChIKeyYLJSHOXUKYNMMD-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.25
Rot. Bonds6

About N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide

N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide (PubChem CID 51276777) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide.

Molecular Properties

Compound NameN-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
PubChem CID51276777
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC NameN-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO3/c25-22(14-12-17-11-13-20-21(15-17)27-16-26-20)24-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-11,13,15,23H,12,14,16H2,(H,24,25)
InChIKeyYLJSHOXUKYNMMD-UHFFFAOYSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-phenylacetate
CID 95152788
3-(1,3-benzodioxol-5-yl)-N-(2-phenylbutyl)propanamide
CID 46657659
3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 42896409
3-(1,3-benzodioxol-5-yl)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]propanamide
CID 36614749
methyl (2R)-2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-benzylsulfanylpropanoate
CID 71455738
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 94064618
3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417966
3-(1,3-benzodioxol-5-yl)-N-(1,1-diphenylethyl)propanamide
CID 56522758
3-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 132651011
3-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46421676
3-(1,3-benzodioxol-5-yl)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 31504084
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 31946505

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide?
The IUPAC name of N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide (CID 51276777) is N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide.
What is the SMILES notation for N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide?
The canonical SMILES for N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide is O=C(CCc1ccc2c(c1)OCO2)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide?
The InChIKey is YLJSHOXUKYNMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-22(14-12-17-11-13-20-21(15-17)27-16-26-20)24-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-11,13,15,23H,12,14,16H2,(H,24,25).
What are the key properties of N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide?
N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide is sourced from PubChem (CID 51276777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).