N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide

C22H24N4O3 — CID 131903163

IUPACN-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(c1ccccc1-n1cncn1)N(CCOc1ccccc1)CC1CCCO1
InChIInChI=1S/C22H24N4O3/c27-22(20-10-4-5-11-21(20)26-17-23-16-24-26)25(15-19-9-6-13-28-19)12-14-29-18-7-2-1-3-8-18/h1-5,7-8,10-11,16-17,19H,6,9,12-15H2
InChIKeyKHKHUALSGKVWKW-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.97
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide

N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 131903163) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID131903163
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(c1ccccc1-n1cncn1)N(CCOc1ccccc1)CC1CCCO1
InChIInChI=1S/C22H24N4O3/c27-22(20-10-4-5-11-21(20)26-17-23-16-24-26)25(15-19-9-6-13-28-19)12-14-29-18-7-2-1-3-8-18/h1-5,7-8,10-11,16-17,19H,6,9,12-15H2
InChIKeyKHKHUALSGKVWKW-UHFFFAOYSA-N
XLogP2.97
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
CID 131937852
2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 97204039
2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)benzamide
CID 131916616
3-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153935
1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 164631306
3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 126428019
3-(oxolan-2-ylmethoxy)-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 134004359
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-fluoro-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 71873267
3-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 97012534
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 60520005
3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 97444246

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide (CID 131903163) is N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide is O=C(c1ccccc1-n1cncn1)N(CCOc1ccccc1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is KHKHUALSGKVWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-22(20-10-4-5-11-21(20)26-17-23-16-24-26)25(15-19-9-6-13-28-19)12-14-29-18-7-2-1-3-8-18/h1-5,7-8,10-11,16-17,19H,6,9,12-15H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide?
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 131903163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).