2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide

C16H21N5O2 — CID 60518268

IUPAC2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC(C)Cn1cncn1
InChIInChI=1S/C16H21N5O2/c1-12-5-3-4-6-14(12)16(23)18-8-7-15(22)20-13(2)9-21-11-17-10-19-21/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyKSGBSXADBZFZBV-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.91
Rot. Bonds7

About 2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide

2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide (PubChem CID 60518268) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
PubChem CID60518268
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC(C)Cn1cncn1
InChIInChI=1S/C16H21N5O2/c1-12-5-3-4-6-14(12)16(23)18-8-7-15(22)20-13(2)9-21-11-17-10-19-21/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyKSGBSXADBZFZBV-UHFFFAOYSA-N
XLogP0.91
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 90651126
2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
CID 51231530
3-methyl-2-nitro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 86992604
N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide
CID 95353191
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide
CID 80718445
2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91795549
5-methyl-2-phenyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]furan-3-carboxamide
CID 45246576
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 60518405
2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822
3-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 135101692
2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 135104972
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 51315358

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide (CID 60518268) is 2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)NC(C)Cn1cncn1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide?
The InChIKey is KSGBSXADBZFZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-5-3-4-6-14(12)16(23)18-8-7-15(22)20-13(2)9-21-11-17-10-19-21/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,23)(H,20,22).
What are the key properties of 2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide?
2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide has a molecular weight of 315.38 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide is sourced from PubChem (CID 60518268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).