2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide

C29H25N5O — CID 125454023

IUPAC2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1)NCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25N5O/c35-28(21-23-13-5-1-6-14-23)30-22-27-31-32-33-34(27)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2,(H,30,35)
InChIKeyWIVWKGRWXXXJJH-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.37
Rot. Bonds8

About 2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide

2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide (PubChem CID 125454023) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide
PubChem CID125454023
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC Name2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1)NCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25N5O/c35-28(21-23-13-5-1-6-14-23)30-22-27-31-32-33-34(27)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2,(H,30,35)
InChIKeyWIVWKGRWXXXJJH-UHFFFAOYSA-N
XLogP4.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[(1-trityltetrazol-5-yl)methyl]propanamide
CID 125452651
(1-trityltetrazol-5-yl)methanamine
CID 57355261
5-(phenoxymethyl)-1-trityltetrazole
CID 139692686
(2S)-3-phenyl-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methylamino]propanoic acid
CID 139650872
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16799166
1-methyl-4-(trifluoromethyl)-7-[(1-trityltetrazol-5-yl)methoxy]indole-2-carboxylic acid
CID 21194492
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
methyl 3-methyl-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methylamino]but-2-enoate
CID 71199611
2-phenyl-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 4289931
N-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
CID 4215513
N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
CID 22579909
N-[[4-ethyl-5-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 126159908

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide (CID 125454023) is 2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide is O=C(Cc1ccccc1)NCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide?
The InChIKey is WIVWKGRWXXXJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O/c35-28(21-23-13-5-1-6-14-23)30-22-27-31-32-33-34(27)29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2,(H,30,35).
What are the key properties of 2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide?
2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide has a molecular weight of 459.55 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 125454023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).