N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide

C22H24N4O3 — CID 126784613

IUPACN-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCCOc1ccc2c(c1)C(NC(=O)c1ccc(-c3n[nH]c(CC)n3)cc1)CCO2
InChIInChI=1S/C22H24N4O3/c1-3-20-24-21(26-25-20)14-5-7-15(8-6-14)22(27)23-18-11-12-29-19-10-9-16(28-4-2)13-17(18)19/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyVPIOYIJOQAODIP-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.69
Rot. Bonds6

About N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide

N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 126784613) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID126784613
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCCOc1ccc2c(c1)C(NC(=O)c1ccc(-c3n[nH]c(CC)n3)cc1)CCO2
InChIInChI=1S/C22H24N4O3/c1-3-20-24-21(26-25-20)14-5-7-15(8-6-14)22(27)23-18-11-12-29-19-10-9-16(28-4-2)13-17(18)19/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyVPIOYIJOQAODIP-UHFFFAOYSA-N
XLogP3.69
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 138013320
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4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide
CID 138013365
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]guanidine
CID 111600284
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 162365681
6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
CID 126793066
N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 172672021
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
CID 47006594
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-[3-(2-fluorophenyl)cyclobutyl]benzamide
CID 139011595
1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 126780314
N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 47038296

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide (CID 126784613) is N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide is CCOc1ccc2c(c1)C(NC(=O)c1ccc(-c3n[nH]c(CC)n3)cc1)CCO2.
What is the InChIKey of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is VPIOYIJOQAODIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-20-24-21(26-25-20)14-5-7-15(8-6-14)22(27)23-18-11-12-29-19-10-9-16(28-4-2)13-17(18)19/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide?
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 126784613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).