N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide

C17H15N5O3 — CID 648011

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N5O3/c23-16(18-9-12-6-7-14-15(8-12)25-11-24-14)10-22-20-17(19-21-22)13-4-2-1-3-5-13/h1-8H,9-11H2,(H,18,23)
InChIKeyBHFVXXPFOMBTGB-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.39
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 648011) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID648011
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N5O3/c23-16(18-9-12-6-7-14-15(8-12)25-11-24-14)10-22-20-17(19-21-22)13-4-2-1-3-5-13/h1-8H,9-11H2,(H,18,23)
InChIKeyBHFVXXPFOMBTGB-UHFFFAOYSA-N
XLogP1.39
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 53393835
CID 53393835
N-Cyclopentyl-2-(cyclopentyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-propionamide
CID 649690
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide
CID 650573
Cjd-hdl-113-2
CID 53262912
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 53347943
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 53347981
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
CID 53347986
2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]-(oxan-4-yl)amino]-N-cyclopentylpropanamide
CID 53377432
2-[cyclohexyl-[2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53377445
2-(5-Benzo[1,3]dioxol-5-yl-tetrazol-2-yl)-N-(3-fluoro-4-methyl-phenyl)-acetamide
CID 1080291
N-Benzo[1,3]dioxol-5-ylmethyl-N-[(3-methyl-butylcarbamoyl)-methyl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 650873
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(4-fluoro-benzyl)-acetamide
CID 654571

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 648011) is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is BHFVXXPFOMBTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c23-16(18-9-12-6-7-14-15(8-12)25-11-24-14)10-22-20-17(19-21-22)13-4-2-1-3-5-13/h1-8H,9-11H2,(H,18,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 337.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 648011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).