3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide

C25H25N5O2 — CID 60556281

IUPAC3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCc1cccc(COCc2ccccc2)c1)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C25H25N5O2/c31-25(24(30-19-27-28-29-30)15-20-8-3-1-4-9-20)26-16-22-12-7-13-23(14-22)18-32-17-21-10-5-2-6-11-21/h1-14,19,24H,15-18H2,(H,26,31)
InChIKeyLVSXBDLUTRPMIS-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.49
Rot. Bonds10

About 3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide

3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide (PubChem CID 60556281) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide
PubChem CID60556281
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCc1cccc(COCc2ccccc2)c1)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C25H25N5O2/c31-25(24(30-19-27-28-29-30)15-20-8-3-1-4-9-20)26-16-22-12-7-13-23(14-22)18-32-17-21-10-5-2-6-11-21/h1-14,19,24H,15-18H2,(H,26,31)
InChIKeyLVSXBDLUTRPMIS-UHFFFAOYSA-N
XLogP3.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94048317
3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide
CID 46447445
(2R)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814888
(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814887
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
3-fluoro-N-[3-[[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]methyl]phenyl]benzamide
CID 55894567
(2R)-3-phenyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 126453124
(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33264815
(2R)-3-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(tetrazol-1-yl)propanamide
CID 126439848
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
(2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide
CID 124735606

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide?
The IUPAC name of 3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide (CID 60556281) is 3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for 3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide is O=C(NCc1cccc(COCc2ccccc2)c1)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of 3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide?
The InChIKey is LVSXBDLUTRPMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-25(24(30-19-27-28-29-30)15-20-8-3-1-4-9-20)26-16-22-12-7-13-23(14-22)18-32-17-21-10-5-2-6-11-21/h1-14,19,24H,15-18H2,(H,26,31).
What are the key properties of 3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide?
3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide has a molecular weight of 427.51 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 60556281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).