2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide

C17H24N6O2 — CID 86285524

IUPAC2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nnnc1C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H24N6O2/c1-13(2)18-15(24)12-23-17(19-20-21-23)16(14-6-4-3-5-7-14)22-8-10-25-11-9-22/h3-7,13,16H,8-12H2,1-2H3,(H,18,24)
InChIKeyRGEPNTMVQJHKEE-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.62
Rot. Bonds6

About 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide

2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 86285524) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide
PubChem CID86285524
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nnnc1C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H24N6O2/c1-13(2)18-15(24)12-23-17(19-20-21-23)16(14-6-4-3-5-7-14)22-8-10-25-11-9-22/h3-7,13,16H,8-12H2,1-2H3,(H,18,24)
InChIKeyRGEPNTMVQJHKEE-UHFFFAOYSA-N
XLogP0.62
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 86284396
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 119069503
N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 126448833
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 126425349
4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
CID 648580
4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
CID 171668621
4-[(S)-phenyl-[1-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]tetrazol-5-yl]methyl]morpholine
CID 95047119
4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
ethyl 4-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]benzoate
CID 7242064
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
CID 53300936
4-[(R)-(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine
CID 1435614

Frequently Asked Questions

What is the IUPAC name of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide (CID 86285524) is 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1nnnc1C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is RGEPNTMVQJHKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13(2)18-15(24)12-23-17(19-20-21-23)16(14-6-4-3-5-7-14)22-8-10-25-11-9-22/h3-7,13,16H,8-12H2,1-2H3,(H,18,24).
What are the key properties of 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide?
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 344.42 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 86285524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).