3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide

C18H27N5O — CID 71854561

IUPAC3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1c(NCC(C)(C)C)cccc1C(=O)N(C)Cc1ncnn1C
InChIInChI=1S/C18H27N5O/c1-13-14(8-7-9-15(13)19-11-18(2,3)4)17(24)22(5)10-16-20-12-21-23(16)6/h7-9,12,19H,10-11H2,1-6H3
InChIKeyVQURYESQNKFGDV-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.85
Rot. Bonds5

About 3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide

3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 71854561) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID71854561
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1c(NCC(C)(C)C)cccc1C(=O)N(C)Cc1ncnn1C
InChIInChI=1S/C18H27N5O/c1-13-14(8-7-9-15(13)19-11-18(2,3)4)17(24)22(5)10-16-20-12-21-23(16)6/h7-9,12,19H,10-11H2,1-6H3
InChIKeyVQURYESQNKFGDV-UHFFFAOYSA-N
XLogP2.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-(2-Methyl-1,2,4-triazol-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 135998415
12-(4-Methyl-1,2,4-triazol-3-yl)-11-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 137238781
N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509832
N-(3,4-dimethylphenyl)-1-[3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]-1,2,4-triazole-3-carboxamide
CID 45281077
3-cyclopropyl-4-(methylaminomethyl)-N-[3-[(1S,2S,3R)-2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]phenyl]benzamide
CID 166629702
7-Fluoro-12-(4-fluorophenyl)-13-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.4.1.05,14]tetradeca-1,5(14),6,8-tetraen-4-one
CID 136265073
1-[2-(benzylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 44601549
1-[3-[3-(dimethylamino)propylamino]propyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 45281086
N-(4-acetylphenyl)-2-{8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
CID 46394814
N'-(2-fluoro-5-methylphenyl)-N-methyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]succinamide
CID 46993152
N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 46998939
4-(4-oxoquinazolin-3(4H)-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 50949969

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 71854561) is 3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide is Cc1c(NCC(C)(C)C)cccc1C(=O)N(C)Cc1ncnn1C.
What is the InChIKey of 3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is VQURYESQNKFGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13-14(8-7-9-15(13)19-11-18(2,3)4)17(24)22(5)10-16-20-12-21-23(16)6/h7-9,12,19H,10-11H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 329.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71854561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).