3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

C13H15N5O3 — CID 60930540

IUPAC3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc2c(c1)OCO2)c1nn[nH]n1
InChIInChI=1S/C13H15N5O3/c1-8(13-15-17-18-16-13)14-12(19)5-3-9-2-4-10-11(6-9)21-7-20-10/h2,4,6,8H,3,5,7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyFVXOFYQSJUZKSG-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.74
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 60930540) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID60930540
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc2c(c1)OCO2)c1nn[nH]n1
InChIInChI=1S/C13H15N5O3/c1-8(13-15-17-18-16-13)14-12(19)5-3-9-2-4-10-11(6-9)21-7-20-10/h2,4,6,8H,3,5,7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyFVXOFYQSJUZKSG-UHFFFAOYSA-N
XLogP0.74
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 60911386
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 94064618
3-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 132651011
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-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 93239790
3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 42925146
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
CID 18121372
3-(1,3-benzodioxol-5-yl)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]propanamide
CID 42948379
3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417966
2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929808
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methylphenyl)propanamide
CID 18143648
N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
CID 51276777

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (CID 60930540) is 3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is CC(NC(=O)CCc1ccc2c(c1)OCO2)c1nn[nH]n1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is FVXOFYQSJUZKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8(13-15-17-18-16-13)14-12(19)5-3-9-2-4-10-11(6-9)21-7-20-10/h2,4,6,8H,3,5,7H2,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 289.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 60930540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).