N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide

C17H22N6O2 — CID 155542346

IUPACN-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC(=O)N1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C17H22N6O2/c24-15(10-4-8-13-6-2-1-3-7-13)18-12-16(25)23-11-5-9-14(23)17-19-21-22-20-17/h1-3,6-7,14H,4-5,8-12H2,(H,18,24)(H,19,20,21,22)/t14-/m0/s1
InChIKeyYJFHDUZAXVCFIX-AWEZNQCLSA-N
MW342.40 g/mol
LogP1.00
Rot. Bonds7

About N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide

N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide (PubChem CID 155542346) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide
PubChem CID155542346
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC(=O)N1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C17H22N6O2/c24-15(10-4-8-13-6-2-1-3-7-13)18-12-16(25)23-11-5-9-14(23)17-19-21-22-20-17/h1-3,6-7,14H,4-5,8-12H2,(H,18,24)(H,19,20,21,22)/t14-/m0/s1
InChIKeyYJFHDUZAXVCFIX-AWEZNQCLSA-N
XLogP1.00
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide?
The IUPAC name of N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide (CID 155542346) is N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCC(=O)N1CCC[C@H]1c1nn[nH]n1.
What is the InChIKey of N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide?
The InChIKey is YJFHDUZAXVCFIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-15(10-4-8-13-6-2-1-3-7-13)18-12-16(25)23-11-5-9-14(23)17-19-21-22-20-17/h1-3,6-7,14H,4-5,8-12H2,(H,18,24)(H,19,20,21,22)/t14-/m0/s1.
What are the key properties of N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide?
N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide has a molecular weight of 342.40 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide is sourced from PubChem (CID 155542346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).