(2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C17H19N5O — CID 99797044

IUPAC(2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C17H19N5O/c23-17(18-10-15-9-12-6-7-14(15)8-12)16(22-11-19-20-21-22)13-4-2-1-3-5-13/h1-7,11-12,14-16H,8-10H2,(H,18,23)/t12-,14+,15+,16+/m0/s1
InChIKeyHHYGYMQXGYDRPP-LCGIIJARSA-N
MW309.37 g/mol
LogP1.59
Rot. Bonds5

About (2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

(2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 99797044) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID99797044
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C17H19N5O/c23-17(18-10-15-9-12-6-7-14(15)8-12)16(22-11-19-20-21-22)13-4-2-1-3-5-13/h1-7,11-12,14-16H,8-10H2,(H,18,23)/t12-,14+,15+,16+/m0/s1
InChIKeyHHYGYMQXGYDRPP-LCGIIJARSA-N
XLogP1.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
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N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
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(2R)-N-cyclohexyl-2-phenyl-2-(tetrazol-1-yl)acetamide
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(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
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(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
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tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
(2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 125444082
(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71829684
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methyl-3-(tetrazol-1-yl)benzamide
CID 99731798
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methyl-3-(tetrazol-1-yl)benzamide
CID 99731800

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 99797044) is (2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is O=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)[C@@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is HHYGYMQXGYDRPP-LCGIIJARSA-N. The full InChI is InChI=1S/C17H19N5O/c23-17(18-10-15-9-12-6-7-14(15)8-12)16(22-11-19-20-21-22)13-4-2-1-3-5-13/h1-7,11-12,14-16H,8-10H2,(H,18,23)/t12-,14+,15+,16+/m0/s1.
What are the key properties of (2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 99797044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).