N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C19H19N5O3 — CID 16517224

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC(C)c3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C19H19N5O3/c1-12-3-5-14(6-4-12)19-21-23-24(22-19)10-18(25)20-13(2)15-7-8-16-17(9-15)27-11-26-16/h3-9,13H,10-11H2,1-2H3,(H,20,25)
InChIKeySNBBSDPWQRUIMM-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.25
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 16517224) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID16517224
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC(C)c3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C19H19N5O3/c1-12-3-5-14(6-4-12)19-21-23-24(22-19)10-18(25)20-13(2)15-7-8-16-17(9-15)27-11-26-16/h3-9,13H,10-11H2,1-2H3,(H,20,25)
InChIKeySNBBSDPWQRUIMM-UHFFFAOYSA-N
XLogP2.25
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8642989
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128319
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465586
N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465585
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1086744
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3153092
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588508
N-[(2S)-1-methoxypropan-2-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465632
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490280
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8543601
1-[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 51503932

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 16517224) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)NC(C)c3ccc4c(c3)OCO4)n2)cc1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is SNBBSDPWQRUIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12-3-5-14(6-4-12)19-21-23-24(22-19)10-18(25)20-13(2)15-7-8-16-17(9-15)27-11-26-16/h3-9,13H,10-11H2,1-2H3,(H,20,25).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 365.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 16517224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).