N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide

C23H21N5O — CID 167971120

IUPACN-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
SMILESCN(C(=O)CC(c1ccccc1)c1ccccc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C23H21N5O/c1-27(23-24-25-26-28(23)20-15-9-4-10-16-20)22(29)17-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3
InChIKeyFYJYFUMLSHDBAL-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.85
Rot. Bonds6

About N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide

N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide (PubChem CID 167971120) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
PubChem CID167971120
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
SMILESCN(C(=O)CC(c1ccccc1)c1ccccc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C23H21N5O/c1-27(23-24-25-26-28(23)20-15-9-4-10-16-20)22(29)17-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3
InChIKeyFYJYFUMLSHDBAL-UHFFFAOYSA-N
XLogP3.85
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 62637944
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate
CID 62007419
2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
CID 9195767
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
CID 18565635
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 18731478
2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1449901
N-(3,4-dichlorophenyl)-2-[methyl-(1-phenyltetrazol-5-yl)amino]acetamide
CID 9195215
N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 42982990
N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 78815853
1-(dimethylamino)-2-(1-phenyltetrazol-5-yl)hex-1-en-3-one
CID 3642835

Frequently Asked Questions

What is the IUPAC name of N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide?
The IUPAC name of N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide (CID 167971120) is N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide.
What is the SMILES notation for N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide?
The canonical SMILES for N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide is CN(C(=O)CC(c1ccccc1)c1ccccc1)c1nnnn1-c1ccccc1.
What is the InChIKey of N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide?
The InChIKey is FYJYFUMLSHDBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-27(23-24-25-26-28(23)20-15-9-4-10-16-20)22(29)17-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21H,17H2,1H3.
What are the key properties of N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide?
N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide has a molecular weight of 383.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide is sourced from PubChem (CID 167971120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).