3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide

C20H23N5O2 — CID 46447445

IUPAC3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide
SMILESCC(C)Oc1ccc(CNC(=O)C(Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C20H23N5O2/c1-15(2)27-18-10-8-17(9-11-18)13-21-20(26)19(25-14-22-23-24-25)12-16-6-4-3-5-7-16/h3-11,14-15,19H,12-13H2,1-2H3,(H,21,26)
InChIKeyKJAQEOUULIAMPG-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.56
Rot. Bonds8

About 3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide

3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide (PubChem CID 46447445) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide
PubChem CID46447445
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide
SMILESCC(C)Oc1ccc(CNC(=O)C(Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C20H23N5O2/c1-15(2)27-18-10-8-17(9-11-18)13-21-20(26)19(25-14-22-23-24-25)12-16-6-4-3-5-7-16/h3-11,14-15,19H,12-13H2,1-2H3,(H,21,26)
InChIKeyKJAQEOUULIAMPG-UHFFFAOYSA-N
XLogP2.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide?
The IUPAC name of 3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide (CID 46447445) is 3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for 3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide is CC(C)Oc1ccc(CNC(=O)C(Cc2ccccc2)n2cnnn2)cc1.
What is the InChIKey of 3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide?
The InChIKey is KJAQEOUULIAMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15(2)27-18-10-8-17(9-11-18)13-21-20(26)19(25-14-22-23-24-25)12-16-6-4-3-5-7-16/h3-11,14-15,19H,12-13H2,1-2H3,(H,21,26).
What are the key properties of 3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide?
3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide has a molecular weight of 365.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 46447445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).