(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide

C13H13N5O — CID 94393857

IUPAC(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
SMILESC#CCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C13H13N5O/c1-2-8-14-13(19)12(18-10-15-16-17-18)9-11-6-4-3-5-7-11/h1,3-7,10,12H,8-9H2,(H,14,19)/t12-/m1/s1
InChIKeyDMNMFZQAHOBPIK-GFCCVEGCSA-N
MW255.28 g/mol
LogP0.21
Rot. Bonds5

About (2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide

(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide (PubChem CID 94393857) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is (2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
PubChem CID94393857
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
SMILESC#CCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C13H13N5O/c1-2-8-14-13(19)12(18-10-15-16-17-18)9-11-6-4-3-5-7-11/h1,3-7,10,12H,8-9H2,(H,14,19)/t12-/m1/s1
InChIKeyDMNMFZQAHOBPIK-GFCCVEGCSA-N
XLogP0.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8509935
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281
(2R)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814888
(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814887
(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 41096542
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51054807
3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 91791500
(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94048317
3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide
CID 46447445
(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33264815

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide (CID 94393857) is (2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide is C#CCNC(=O)[C@@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is DMNMFZQAHOBPIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-8-14-13(19)12(18-10-15-16-17-18)9-11-6-4-3-5-7-11/h1,3-7,10,12H,8-9H2,(H,14,19)/t12-/m1/s1.
What are the key properties of (2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide?
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 255.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 94393857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).