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

C19H26N6O2 — CID 155530046

IUPACN-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide
SMILESC[C@@H](C(=O)N1CCC[C@H]1c1nn[nH]n1)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C19H26N6O2/c1-14(19(27)25-13-7-11-16(25)18-20-22-23-21-18)24(2)17(26)12-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,20,21,22,23)/t14-,16-/m0/s1
InChIKeyCBDZVTZGWAARJV-HOCLYGCPSA-N
MW370.46 g/mol
LogP1.73
Rot. Bonds7

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

N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide (PubChem CID 155530046) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide
PubChem CID155530046
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide
SMILESC[C@@H](C(=O)N1CCC[C@H]1c1nn[nH]n1)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C19H26N6O2/c1-14(19(27)25-13-7-11-16(25)18-20-22-23-21-18)24(2)17(26)12-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,20,21,22,23)/t14-,16-/m0/s1
InChIKeyCBDZVTZGWAARJV-HOCLYGCPSA-N
XLogP1.73
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide?
The IUPAC name of N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide (CID 155530046) is N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide.
What is the SMILES notation for N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide?
The canonical SMILES for N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide is C[C@@H](C(=O)N1CCC[C@H]1c1nn[nH]n1)N(C)C(=O)CCCc1ccccc1.
What is the InChIKey of N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide?
The InChIKey is CBDZVTZGWAARJV-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-14(19(27)25-13-7-11-16(25)18-20-22-23-21-18)24(2)17(26)12-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,20,21,22,23)/t14-,16-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide?
N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide has a molecular weight of 370.46 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide is sourced from PubChem (CID 155530046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).