N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide

C16H22N4O — CID 23588515

IUPACN-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(-n2cncn2)cc1)C(C)C
InChIInChI=1S/C16H22N4O/c1-12(2)9-19(13(3)4)16(21)14-5-7-15(8-6-14)20-11-17-10-18-20/h5-8,10-13H,9H2,1-4H3
InChIKeyQAQGNUKXJQEFSF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.77
Rot. Bonds5

About N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide

N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 23588515) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID23588515
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(-n2cncn2)cc1)C(C)C
InChIInChI=1S/C16H22N4O/c1-12(2)9-19(13(3)4)16(21)14-5-7-15(8-6-14)20-11-17-10-18-20/h5-8,10-13H,9H2,1-4H3
InChIKeyQAQGNUKXJQEFSF-UHFFFAOYSA-N
XLogP2.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9470834
N-methyl-4-(methylsulfonylmethyl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471187
4-N-methyl-4-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46613787
methyl 4-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]benzoate
CID 9471114
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
2,2-dimethyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one
CID 58252503
2-[2-methylpropyl-[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 119193255
4-cyano-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17419687
3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid
CID 120520061
4-[(carbamoylamino)methyl]-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31744960
2-methyl-3-[4-(1,2,4-triazol-1-yl)phenyl]propanoic acid
CID 82513030
N,N-dimethyl-4-[[[N'-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111873549

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide (CID 23588515) is N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide is CC(C)CN(C(=O)c1ccc(-n2cncn2)cc1)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is QAQGNUKXJQEFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)9-19(13(3)4)16(21)14-5-7-15(8-6-14)20-11-17-10-18-20/h5-8,10-13H,9H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide?
N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 286.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 23588515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).