2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide

C19H21N5O2 — CID 36657700

IUPAC2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)NCCCc3ccccc3)n2)c1
InChIInChI=1S/C19H21N5O2/c1-26-17-11-5-10-16(13-17)19-21-23-24(22-19)14-18(25)20-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,20,25)
InChIKeyLBMKGNBKNJWWIP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.10
Rot. Bonds8

About 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide

2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 36657700) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
PubChem CID36657700
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)NCCCc3ccccc3)n2)c1
InChIInChI=1S/C19H21N5O2/c1-26-17-11-5-10-16(13-17)19-21-23-24(22-19)14-18(25)20-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,20,25)
InChIKeyLBMKGNBKNJWWIP-UHFFFAOYSA-N
XLogP2.10
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
CID 8586996
4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 55322701
methyl (2S)-2-[(2-iodoacetyl)amino]-6-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]hexanoate
CID 156529829
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 46970444
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7634948
N-[1-(4-bromophenyl)ethyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 46698092
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 26676812

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide (CID 36657700) is 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide is COc1cccc(-c2nnn(CC(=O)NCCCc3ccccc3)n2)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is LBMKGNBKNJWWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-17-11-5-10-16(13-17)19-21-23-24(22-19)14-18(25)20-12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,20,25).
What are the key properties of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide?
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 36657700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).