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

C24H23N5O — CID 18565635

IUPACN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
SMILESCc1ccc(-n2nnnc2CNC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N5O/c1-18-12-14-21(15-13-18)29-23(26-27-28-29)17-25-24(30)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,25,30)
InChIKeyJTCIGRAXJGVGIU-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.81
Rot. Bonds7

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

N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide (PubChem CID 18565635) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
PubChem CID18565635
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
SMILESCc1ccc(-n2nnnc2CNC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N5O/c1-18-12-14-21(15-13-18)29-23(26-27-28-29)17-25-24(30)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,25,30)
InChIKeyJTCIGRAXJGVGIU-UHFFFAOYSA-N
XLogP3.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide
CID 18565616
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16799166
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579946
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 77082434
N-[(1-phenyltetrazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131928193
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
(3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide
CID 124844604
N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
CID 167971120
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 16799246
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 27451445
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide (CID 18565635) is N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide is Cc1ccc(-n2nnnc2CNC(=O)CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide?
The InChIKey is JTCIGRAXJGVGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-18-12-14-21(15-13-18)29-23(26-27-28-29)17-25-24(30)16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,25,30).
What are the key properties of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide?
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide has a molecular weight of 397.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 18565635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).