2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide

C14H17N5O3 — CID 166321364

IUPAC2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide
SMILESCC(C)Oc1ccc(NC(=O)Cc2ncn[nH]2)cc1C(N)=O
InChIInChI=1S/C14H17N5O3/c1-8(2)22-11-4-3-9(5-10(11)14(15)21)18-13(20)6-12-16-7-17-19-12/h3-5,7-8H,6H2,1-2H3,(H2,15,21)(H,18,20)(H,16,17,19)
InChIKeyBDEZJOGNFNAZAB-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.87
Rot. Bonds6

About 2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide

2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide (PubChem CID 166321364) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide
PubChem CID166321364
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide
SMILESCC(C)Oc1ccc(NC(=O)Cc2ncn[nH]2)cc1C(N)=O
InChIInChI=1S/C14H17N5O3/c1-8(2)22-11-4-3-9(5-10(11)14(15)21)18-13(20)6-12-16-7-17-19-12/h3-5,7-8H,6H2,1-2H3,(H2,15,21)(H,18,20)(H,16,17,19)
InChIKeyBDEZJOGNFNAZAB-UHFFFAOYSA-N
XLogP0.87
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide
CID 122145334
2-propan-2-yloxy-4-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,4-diamine
CID 83001895
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 166386885
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
2-[2-(4-methoxy-3-propan-2-yloxyanilino)-2-oxoethyl]benzoic acid
CID 120552915
N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
CID 66916731
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
4-fluoro-5-propan-2-yloxy-1-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,2-diamine
CID 64545724
5-[(3-cyano-4-fluorophenyl)methylamino]-2-propan-2-yloxybenzamide
CID 100673357
2-methyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 64523520
5-acetamido-N-[2-[3-[[2-[3-[[2-(3-carbamoyl-4-methoxyanilino)-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]-2-methoxybenzamide
CID 131994831

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of 2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide (CID 166321364) is 2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide is CC(C)Oc1ccc(NC(=O)Cc2ncn[nH]2)cc1C(N)=O.
What is the InChIKey of 2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide?
The InChIKey is BDEZJOGNFNAZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-8(2)22-11-4-3-9(5-10(11)14(15)21)18-13(20)6-12-16-7-17-19-12/h3-5,7-8H,6H2,1-2H3,(H2,15,21)(H,18,20)(H,16,17,19).
What are the key properties of 2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide?
2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide has a molecular weight of 303.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-5-[[2-(1H-1,2,4-triazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 166321364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).