2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C16H22N6O2 — CID 124758787

IUPAC2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCN(CC(=O)NC[C@@H]1CCCO1)Cc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C16H22N6O2/c1-22(11-15(23)17-9-14-6-3-7-24-14)10-12-4-2-5-13(8-12)16-18-20-21-19-16/h2,4-5,8,14H,3,6-7,9-11H2,1H3,(H,17,23)(H,18,19,20,21)/t14-/m0/s1
InChIKeyZPENVQZMEMAMSR-AWEZNQCLSA-N
MW330.39 g/mol
LogP0.59
Rot. Bonds7

About 2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 124758787) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID124758787
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCN(CC(=O)NC[C@@H]1CCCO1)Cc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C16H22N6O2/c1-22(11-15(23)17-9-14-6-3-7-24-14)10-12-4-2-5-13(8-12)16-18-20-21-19-16/h2,4-5,8,14H,3,6-7,9-11H2,1H3,(H,17,23)(H,18,19,20,21)/t14-/m0/s1
InChIKeyZPENVQZMEMAMSR-AWEZNQCLSA-N
XLogP0.59
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-[3-(2H-tetrazol-5-yl)phenyl]methanamine
CID 77094972
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78818567
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1307765
2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 91837583
2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 134711935
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 91843147
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165554
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 5037608
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97075380

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 124758787) is 2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CN(CC(=O)NC[C@@H]1CCCO1)Cc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is ZPENVQZMEMAMSR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-22(11-15(23)17-9-14-6-3-7-24-14)10-12-4-2-5-13(8-12)16-18-20-21-19-16/h2,4-5,8,14H,3,6-7,9-11H2,1H3,(H,17,23)(H,18,19,20,21)/t14-/m0/s1.
What are the key properties of 2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 124758787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).