(2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide

C20H21N5O — CID 124735606

IUPAC(2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide
SMILESO=C(NC[C@@H]1C[C@H]1c1ccccc1)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C20H21N5O/c26-20(21-13-17-12-18(17)16-9-5-2-6-10-16)19(25-14-22-23-24-25)11-15-7-3-1-4-8-15/h1-10,14,17-19H,11-13H2,(H,21,26)/t17-,18-,19-/m0/s1
InChIKeyNTJSQSSMQGEEKB-FHWLQOOXSA-N
MW347.42 g/mol
LogP2.38
Rot. Bonds7

About (2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide

(2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide (PubChem CID 124735606) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide
PubChem CID124735606
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide
SMILESO=C(NC[C@@H]1C[C@H]1c1ccccc1)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C20H21N5O/c26-20(21-13-17-12-18(17)16-9-5-2-6-10-16)19(25-14-22-23-24-25)11-15-7-3-1-4-8-15/h1-10,14,17-19H,11-13H2,(H,21,26)/t17-,18-,19-/m0/s1
InChIKeyNTJSQSSMQGEEKB-FHWLQOOXSA-N
XLogP2.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide (CID 124735606) is (2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide is O=C(NC[C@@H]1C[C@H]1c1ccccc1)[C@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide?
The InChIKey is NTJSQSSMQGEEKB-FHWLQOOXSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(21-13-17-12-18(17)16-9-5-2-6-10-16)19(25-14-22-23-24-25)11-15-7-3-1-4-8-15/h1-10,14,17-19H,11-13H2,(H,21,26)/t17-,18-,19-/m0/s1.
What are the key properties of (2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide?
(2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 124735606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).