(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide

C16H19N7O — CID 96561738

IUPAC(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESC[C@H](C(=O)N(C)Cc1nccn1C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H19N7O/c1-12(16(24)22(3)11-14-17-9-10-21(14)2)23-19-15(18-20-23)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/t12-/m1/s1
InChIKeyJMLWFXSPHSEXQM-GFCCVEGCSA-N
MW325.38 g/mol
LogP1.29
Rot. Bonds5

About (2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide

(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide (PubChem CID 96561738) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide
PubChem CID96561738
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESC[C@H](C(=O)N(C)Cc1nccn1C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H19N7O/c1-12(16(24)22(3)11-14-17-9-10-21(14)2)23-19-15(18-20-23)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/t12-/m1/s1
InChIKeyJMLWFXSPHSEXQM-GFCCVEGCSA-N
XLogP1.29
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119657176
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide
CID 109399686
2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
CID 119346239
(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 51874898
(2R)-4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]pentanoic acid
CID 78923453
(2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588870
3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 60962958
2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107471639
2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 155954257
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The IUPAC name of (2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide (CID 96561738) is (2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The canonical SMILES for (2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide is C[C@H](C(=O)N(C)Cc1nccn1C)n1nnc(-c2ccccc2)n1.
What is the InChIKey of (2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The InChIKey is JMLWFXSPHSEXQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N7O/c1-12(16(24)22(3)11-14-17-9-10-21(14)2)23-19-15(18-20-23)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide?
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide has a molecular weight of 325.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide is sourced from PubChem (CID 96561738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).