2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide

C26H26N6O2 — CID 1157274

IUPAC2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide
SMILESO=C(Cn1nnc(-c2ccc(CN3CCOCC3)cc2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N6O2/c33-25(32(23-7-3-1-4-8-23)24-9-5-2-6-10-24)20-31-28-26(27-29-31)22-13-11-21(12-14-22)19-30-15-17-34-18-16-30/h1-14H,15-20H2
InChIKeyCCHOVJGJEJDPBV-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.54
Rot. Bonds7

About 2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide

2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide (PubChem CID 1157274) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide
PubChem CID1157274
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide
SMILESO=C(Cn1nnc(-c2ccc(CN3CCOCC3)cc2)n1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N6O2/c33-25(32(23-7-3-1-4-8-23)24-9-5-2-6-10-24)20-31-28-26(27-29-31)22-13-11-21(12-14-22)19-30-15-17-34-18-16-30/h1-14H,15-20H2
InChIKeyCCHOVJGJEJDPBV-UHFFFAOYSA-N
XLogP3.54
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,3-Diphenylpropyl)-3-[3-(2-methyltetrazol-5-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
CID 16736327
N-(2-Morpholin-4-yl-phenyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 644884
N-(2,6-Dimethyl-phenyl)-2-[5-(4-morpholin-4-yl-phenyl)-tetrazol-2-yl]-acetamide
CID 645326
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[5-(4-morpholin-4-ylmethyl-phenyl)-tetrazol-2-yl]-ethanone
CID 646381
[5-(4-Morpholin-4-yl-phenyl)-tetrazol-2-yl]-acetic acid cyclohexyl ester
CID 646384
2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 646660
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 863239
N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1136633
1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 1175395
1-(4-fluorophenyl)-4-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperazine
CID 1264121
3-Methyl-N-{2-[2-(2-morpholin-4-yl-2-oxo-ethyl)-2H-tetrazol-5-yl]-phenyl}-butyramide
CID 650637
N-(2-Morpholin-4-yl-phenyl)-2-(5-phenyl-tetrazol-2-yl)-acetamide
CID 646319

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide?
The IUPAC name of 2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide (CID 1157274) is 2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide.
What is the SMILES notation for 2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide?
The canonical SMILES for 2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide is O=C(Cn1nnc(-c2ccc(CN3CCOCC3)cc2)n1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide?
The InChIKey is CCHOVJGJEJDPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c33-25(32(23-7-3-1-4-8-23)24-9-5-2-6-10-24)20-31-28-26(27-29-31)22-13-11-21(12-14-22)19-30-15-17-34-18-16-30/h1-14H,15-20H2.
What are the key properties of 2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide?
2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide has a molecular weight of 454.53 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide is sourced from PubChem (CID 1157274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).