4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide

C23H25N5O3 — CID 172668585

IUPAC4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2cnnc2)cc1NC(=O)c1ccc(C2CCOC2)cc1
InChIInChI=1S/C23H25N5O3/c1-16-2-3-19(22(29)24-9-10-28-14-25-26-15-28)12-21(16)27-23(30)18-6-4-17(5-7-18)20-8-11-31-13-20/h2-7,12,14-15,20H,8-11,13H2,1H3,(H,24,29)(H,27,30)
InChIKeyWIJDUAAVEWZALN-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.77
Rot. Bonds7

About 4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide

4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide (PubChem CID 172668585) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
PubChem CID172668585
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2cnnc2)cc1NC(=O)c1ccc(C2CCOC2)cc1
InChIInChI=1S/C23H25N5O3/c1-16-2-3-19(22(29)24-9-10-28-14-25-26-15-28)12-21(16)27-23(30)18-6-4-17(5-7-18)20-8-11-31-13-20/h2-7,12,14-15,20H,8-11,13H2,1H3,(H,24,29)(H,27,30)
InChIKeyWIJDUAAVEWZALN-UHFFFAOYSA-N
XLogP2.77
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide with MolForge

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Related Compounds

3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
CID 138035822
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide
CID 136549708
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-oxolan-3-yl]benzamide
CID 124729838
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
3-benzamido-4-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]benzamide
CID 55862192
N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20955162
4-cyclohexyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 46478092
4-[[(3-benzamido-4-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 120542791
4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid
CID 119216217
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide (CID 172668585) is 4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCn2cnnc2)cc1NC(=O)c1ccc(C2CCOC2)cc1.
What is the InChIKey of 4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide?
The InChIKey is WIJDUAAVEWZALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16-2-3-19(22(29)24-9-10-28-14-25-26-15-28)12-21(16)27-23(30)18-6-4-17(5-7-18)20-8-11-31-13-20/h2-7,12,14-15,20H,8-11,13H2,1H3,(H,24,29)(H,27,30).
What are the key properties of 4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide?
4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide has a molecular weight of 419.49 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[4-(oxolan-3-yl)benzoyl]amino]-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 172668585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).