N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide

C24H23N5O2 — CID 16799202

IUPACN-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
SMILESCOc1ccc(-n2nnnc2CNC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N5O2/c1-31-21-14-12-20(13-15-21)29-23(26-27-28-29)17-25-24(30)16-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,25,30)
InChIKeyOMTCNTCWBULAJN-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.51
Rot. Bonds8

About N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide

N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide (PubChem CID 16799202) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
PubChem CID16799202
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
SMILESCOc1ccc(-n2nnnc2CNC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N5O2/c1-31-21-14-12-20(13-15-21)29-23(26-27-28-29)17-25-24(30)16-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,25,30)
InChIKeyOMTCNTCWBULAJN-UHFFFAOYSA-N
XLogP3.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'tetrazole_A(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide (CID 16799202) is N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide is COc1ccc(-n2nnnc2CNC(=O)CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide?
The InChIKey is OMTCNTCWBULAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-21-14-12-20(13-15-21)29-23(26-27-28-29)17-25-24(30)16-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,25,30).
What are the key properties of N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide?
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide has a molecular weight of 413.48 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 16799202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).