N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide

C18H26N6O2 — CID 86284396

IUPACN-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1nnnc1C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H26N6O2/c1-18(2,3)19-15(25)13-24-17(20-21-22-24)16(14-7-5-4-6-8-14)23-9-11-26-12-10-23/h4-8,16H,9-13H2,1-3H3,(H,19,25)
InChIKeyCDQQWTMJVYLNPE-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.01
Rot. Bonds5

About N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide

N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide (PubChem CID 86284396) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
PubChem CID86284396
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1nnnc1C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H26N6O2/c1-18(2,3)19-15(25)13-24-17(20-21-22-24)16(14-7-5-4-6-8-14)23-9-11-26-12-10-23/h4-8,16H,9-13H2,1-3H3,(H,19,25)
InChIKeyCDQQWTMJVYLNPE-UHFFFAOYSA-N
XLogP1.01
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide
CID 86285524
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-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
CID 53300936
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
1,4-bis[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 98111414
tert-butyl 4-[(R)-(1-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carboxylate
CID 126455554

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide (CID 86284396) is N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide is CC(C)(C)NC(=O)Cn1nnnc1C(c1ccccc1)N1CCOCC1.
What is the InChIKey of N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is CDQQWTMJVYLNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-18(2,3)19-15(25)13-24-17(20-21-22-24)16(14-7-5-4-6-8-14)23-9-11-26-12-10-23/h4-8,16H,9-13H2,1-3H3,(H,19,25).
What are the key properties of N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 86284396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).