2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

C13H18N6O — CID 119778417

IUPAC2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C13H18N6O/c1-9(7-14-2)13(20)15-8-10-3-5-11(6-4-10)12-16-18-19-17-12/h3-6,9,14H,7-8H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeyPXIIASMJCAGNPL-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.34
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 119778417) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
PubChem CID119778417
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C13H18N6O/c1-9(7-14-2)13(20)15-8-10-3-5-11(6-4-10)12-16-18-19-17-12/h3-6,9,14H,7-8H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeyPXIIASMJCAGNPL-UHFFFAOYSA-N
XLogP0.34
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 95773877
2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 119778407
(2S)-2-amino-3,3-dimethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide;hydrochloride
CID 119778410
2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 75423019
N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119701163
N,N-dimethyl-4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide;hydrochloride
CID 119701723
4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 120591918
2-amino-2-(oxan-4-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 120792568
(2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide
CID 167788668
2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 119725281
(3,3,3-trifluoro-2-methylpropyl) 4-(2H-tetrazol-5-yl)benzoate
CID 23540949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (CID 119778417) is 2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is CNCC(C)C(=O)NCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is PXIIASMJCAGNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9(7-14-2)13(20)15-8-10-3-5-11(6-4-10)12-16-18-19-17-12/h3-6,9,14H,7-8H2,1-2H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 274.33 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 119778417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).