N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide

C20H22N4O3 — CID 77088347

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
SMILESCCOc1cc(CN(C)C(=O)c2cccc(-n3cnnc3)c2)ccc1OC
InChIInChI=1S/C20H22N4O3/c1-4-27-19-10-15(8-9-18(19)26-3)12-23(2)20(25)16-6-5-7-17(11-16)24-13-21-22-14-24/h5-11,13-14H,4,12H2,1-3H3
InChIKeyABQKDMQXMYMAAS-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.95
Rot. Bonds7

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide

N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 77088347) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID77088347
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
SMILESCCOc1cc(CN(C)C(=O)c2cccc(-n3cnnc3)c2)ccc1OC
InChIInChI=1S/C20H22N4O3/c1-4-27-19-10-15(8-9-18(19)26-3)12-23(2)20(25)16-6-5-7-17(11-16)24-13-21-22-14-24/h5-11,13-14H,4,12H2,1-3H3
InChIKeyABQKDMQXMYMAAS-UHFFFAOYSA-N
XLogP2.95
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 72844673
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
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N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 18111551
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-phenoxybenzamide
CID 17442743
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 39891647
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
4-ethoxy-3-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 78771375
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 56745611
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide (CID 77088347) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide is CCOc1cc(CN(C)C(=O)c2cccc(-n3cnnc3)c2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is ABQKDMQXMYMAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-27-19-10-15(8-9-18(19)26-3)12-23(2)20(25)16-6-5-7-17(11-16)24-13-21-22-14-24/h5-11,13-14H,4,12H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 77088347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).