N-[(1-trityltetrazol-5-yl)methyl]propanamide

C24H23N5O — CID 125452651

IUPACN-[(1-trityltetrazol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N5O/c1-2-23(30)25-18-22-26-27-28-29(22)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3,(H,25,30)
InChIKeyIYPUAECGGINFKT-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.54
Rot. Bonds7

About N-[(1-trityltetrazol-5-yl)methyl]propanamide

N-[(1-trityltetrazol-5-yl)methyl]propanamide (PubChem CID 125452651) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(1-trityltetrazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-trityltetrazol-5-yl)methyl]propanamide
PubChem CID125452651
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[(1-trityltetrazol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N5O/c1-2-23(30)25-18-22-26-27-28-29(22)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3,(H,25,30)
InChIKeyIYPUAECGGINFKT-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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

2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide
CID 125454023
(1-trityltetrazol-5-yl)methanamine
CID 57355261
5-(phenoxymethyl)-1-trityltetrazole
CID 139692686
5-(4-chlorobutyl)-1-trityltetrazole
CID 15342786
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
N-(3-hydroxy-3,3-diphenylpropyl)propanamide
CID 110177801
methyl 3-methyl-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methylamino]but-2-enoate
CID 71199611
1-methyl-4-(trifluoromethyl)-7-[(1-trityltetrazol-5-yl)methoxy]indole-2-carboxylic acid
CID 21194492
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
CID 18565635
(2S)-3-phenyl-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methylamino]propanoic acid
CID 139650872
3-oxo-2-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]hexanenitrile
CID 139626458
N-[2-(1-methyltetrazol-5-yl)ethyl]propanamide
CID 110871029

Frequently Asked Questions

What is the IUPAC name of N-[(1-trityltetrazol-5-yl)methyl]propanamide?
The IUPAC name of N-[(1-trityltetrazol-5-yl)methyl]propanamide (CID 125452651) is N-[(1-trityltetrazol-5-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-trityltetrazol-5-yl)methyl]propanamide?
The canonical SMILES for N-[(1-trityltetrazol-5-yl)methyl]propanamide is CCC(=O)NCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1-trityltetrazol-5-yl)methyl]propanamide?
The InChIKey is IYPUAECGGINFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-2-23(30)25-18-22-26-27-28-29(22)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3,(H,25,30).
What are the key properties of N-[(1-trityltetrazol-5-yl)methyl]propanamide?
N-[(1-trityltetrazol-5-yl)methyl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-trityltetrazol-5-yl)methyl]propanamide is sourced from PubChem (CID 125452651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).