N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide

C17H22N6O2 — CID 164625642

IUPACN-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide
SMILESCN(CC(=O)N1CCC[C@H]1c1nn[nH]n1)C(=O)CCc1ccccc1
InChIInChI=1S/C17H22N6O2/c1-22(15(24)10-9-13-6-3-2-4-7-13)12-16(25)23-11-5-8-14(23)17-18-20-21-19-17/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,19,20,21)/t14-/m0/s1
InChIKeyFLWLCTGRSRLSPO-AWEZNQCLSA-N
MW342.40 g/mol
LogP0.95
Rot. Bonds6

About N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide

N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide (PubChem CID 164625642) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide
PubChem CID164625642
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide
SMILESCN(CC(=O)N1CCC[C@H]1c1nn[nH]n1)C(=O)CCc1ccccc1
InChIInChI=1S/C17H22N6O2/c1-22(15(24)10-9-13-6-3-2-4-7-13)12-16(25)23-11-5-8-14(23)17-18-20-21-19-17/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,19,20,21)/t14-/m0/s1
InChIKeyFLWLCTGRSRLSPO-AWEZNQCLSA-N
XLogP0.95
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-5-((7-phenylheptanamido)methyl)-2H-tetrazole-2-carboxamide
CID 24795575
N,N-dimethyl-5-((7-phenyloctanamido)methyl)-2H-tetrazole-2-carboxamide
CID 24796129
4-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 155518457
N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-4-phenylbutanamide
CID 155545102
5-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]pentan-1-one
CID 164610922
3-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 164617109
(2S)-N,3,3-trimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]-N-[(E,3S)-4-methyl-1-(2H-tetrazol-5-yl)pent-1-en-3-yl]butanamide
CID 11684466
1-[(4S)-4-[3-(4-fluorophenyl)propyl-methylamino]-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 146676255
N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-3-phenylpropanamide
CID 164615313
N-[(2S)-1-oxo-1-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-2-yl]-5-phenylpentanamide
CID 164627685
3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 50948741
N-[(1R)-2-hydrazinyl-2-oxo-1-(2H-tetrazol-5-yl)ethyl]-5-phenylpentanamide
CID 145864179

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]-3-phenylpropanamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide (CID 164625642) is N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide is CN(CC(=O)N1CCC[C@H]1c1nn[nH]n1)C(=O)CCc1ccccc1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide?
The InChIKey is FLWLCTGRSRLSPO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22(15(24)10-9-13-6-3-2-4-7-13)12-16(25)23-11-5-8-14(23)17-18-20-21-19-17/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,19,20,21)/t14-/m0/s1.
What are the key properties of N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide?
N-methyl-N-[2-oxo-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethyl]-3-phenylpropanamide has a molecular weight of 342.40 g/mol, XLogP of 0.95, 6 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]-3-phenylpropanamide is sourced from PubChem (CID 164625642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).