N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide

C15H20N4O2 — CID 126780843

IUPACN-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCC(C)(C)Oc1ccccc1NC(=O)CCc1ncn[nH]1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-12-7-5-4-6-11(12)18-14(20)9-8-13-16-10-17-19-13/h4-7,10H,8-9H2,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyOZVMEFUTBVBKMT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.55
Rot. Bonds5

About N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide

N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 126780843) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID126780843
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCC(C)(C)Oc1ccccc1NC(=O)CCc1ncn[nH]1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-12-7-5-4-6-11(12)18-14(20)9-8-13-16-10-17-19-13/h4-7,10H,8-9H2,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyOZVMEFUTBVBKMT-UHFFFAOYSA-N
XLogP2.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide
CID 99818406
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1-(2-methoxyphenyl)-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
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2-(2-methoxyethylamino)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
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2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64517211
2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
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2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 61360611
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide
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3-[methyl-[[2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]amino]propanoic acid
CID 122084828
N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
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3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide (CID 126780843) is N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide is CC(C)(C)Oc1ccccc1NC(=O)CCc1ncn[nH]1.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is OZVMEFUTBVBKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)21-12-7-5-4-6-11(12)18-14(20)9-8-13-16-10-17-19-13/h4-7,10H,8-9H2,1-3H3,(H,18,20)(H,16,17,19).
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 126780843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).