2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide

C13H18N6O — CID 62847424

IUPAC2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C13H18N6O/c1-9-7-10(16-12(20)13(2,3)14-4)5-6-11(9)19-8-15-17-18-19/h5-8,14H,1-4H3,(H,16,20)
InChIKeyVXVNNXHVSGUHFR-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.91
Rot. Bonds4

About 2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide

2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 62847424) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID62847424
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C13H18N6O/c1-9-7-10(16-12(20)13(2,3)14-4)5-6-11(9)19-8-15-17-18-19/h5-8,14H,1-4H3,(H,16,20)
InChIKeyVXVNNXHVSGUHFR-UHFFFAOYSA-N
XLogP0.91
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
CID 65173261
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 75436162
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
(E)-4-[3-methyl-4-(tetrazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60940580
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide
CID 36723061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide (CID 62847424) is 2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide is CNC(C)(C)C(=O)Nc1ccc(-n2cnnn2)c(C)c1.
What is the InChIKey of 2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is VXVNNXHVSGUHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9-7-10(16-12(20)13(2,3)14-4)5-6-11(9)19-8-15-17-18-19/h5-8,14H,1-4H3,(H,16,20).
What are the key properties of 2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 274.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 62847424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).