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

C18H24N6O2 — CID 155542431

IUPACN-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide
SMILESCN(CC(=O)N1CCC[C@H]1c1nn[nH]n1)C(=O)CCCc1ccccc1
InChIInChI=1S/C18H24N6O2/c1-23(16(25)11-5-9-14-7-3-2-4-8-14)13-17(26)24-12-6-10-15(24)18-19-21-22-20-18/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,20,21,22)/t15-/m0/s1
InChIKeyDKSUCXWJUAMCNK-HNNXBMFYSA-N
MW356.43 g/mol
LogP1.34
Rot. Bonds7

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

N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide (PubChem CID 155542431) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide
PubChem CID155542431
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide
SMILESCN(CC(=O)N1CCC[C@H]1c1nn[nH]n1)C(=O)CCCc1ccccc1
InChIInChI=1S/C18H24N6O2/c1-23(16(25)11-5-9-14-7-3-2-4-8-14)13-17(26)24-12-6-10-15(24)18-19-21-22-20-18/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,20,21,22)/t15-/m0/s1
InChIKeyDKSUCXWJUAMCNK-HNNXBMFYSA-N
XLogP1.34
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide (CID 155542431) is N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide is CN(CC(=O)N1CCC[C@H]1c1nn[nH]n1)C(=O)CCCc1ccccc1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide?
The InChIKey is DKSUCXWJUAMCNK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-23(16(25)11-5-9-14-7-3-2-4-8-14)13-17(26)24-12-6-10-15(24)18-19-21-22-20-18/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,19,20,21,22)/t15-/m0/s1.
What are the key properties of N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide?
N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide has a molecular weight of 356.43 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-4-phenylbutanamide is sourced from PubChem (CID 155542431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).