N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide

C16H23N5O — CID 119657150

IUPACN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)N(C)CC(C)(C)CN)ccc1-n1cncn1
InChIInChI=1S/C16H23N5O/c1-12-7-13(5-6-14(12)21-11-18-10-19-21)15(22)20(4)9-16(2,3)8-17/h5-7,10-11H,8-9,17H2,1-4H3
InChIKeyLPWOGAWSIMLLGG-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.63
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide

N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 119657150) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID119657150
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)N(C)CC(C)(C)CN)ccc1-n1cncn1
InChIInChI=1S/C16H23N5O/c1-12-7-13(5-6-14(12)21-11-18-10-19-21)15(22)20(4)9-16(2,3)8-17/h5-7,10-11H,8-9,17H2,1-4H3
InChIKeyLPWOGAWSIMLLGG-UHFFFAOYSA-N
XLogP1.63
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)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

4-[methyl-[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]butanoic acid
CID 119173243
3-methyl-4-(1,2,4-triazol-1-yl)benzenecarbothioamide
CID 60929947
2-[2-methylpropyl-[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 119193255
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119653973
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(3-amino-2,2-dimethylpropyl)-N,6-dimethylpyridine-3-carboxamide
CID 79652120
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 111481565
N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide
CID 86801668
3-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]butanoic acid
CID 119221375

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide (CID 119657150) is N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide is Cc1cc(C(=O)N(C)CC(C)(C)CN)ccc1-n1cncn1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is LPWOGAWSIMLLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-7-13(5-6-14(12)21-11-18-10-19-21)15(22)20(4)9-16(2,3)8-17/h5-7,10-11H,8-9,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide?
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 301.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 119657150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).