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

C23H21N5O — CID 41096542

IUPAC(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C23H21N5O/c29-23(21(28-17-24-26-27-28)16-18-10-4-1-5-11-18)25-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21-22H,16H2,(H,25,29)/t21-/m1/s1
InChIKeyWONTVXWQQTXVCK-OAQYLSRUSA-N
MW383.46 g/mol
LogP3.36
Rot. Bonds7

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

(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 41096542) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is (2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID41096542
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C23H21N5O/c29-23(21(28-17-24-26-27-28)16-18-10-4-1-5-11-18)25-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21-22H,16H2,(H,25,29)/t21-/m1/s1
InChIKeyWONTVXWQQTXVCK-OAQYLSRUSA-N
XLogP3.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51231474
N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 109479307
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 124851461
(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
3-phenyl-N-pyridin-3-yl-2-(tetrazol-1-yl)propanamide
CID 47016922
(2R)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 35254900
N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51078054
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 41096542) is (2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide is O=C(NC(c1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is WONTVXWQQTXVCK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21N5O/c29-23(21(28-17-24-26-27-28)16-18-10-4-1-5-11-18)25-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,21-22H,16H2,(H,25,29)/t21-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 383.46 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 41096542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).