3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

C14H18N4O3 — CID 129478499

IUPAC3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ncnn2C)cc1OC
InChIInChI=1S/C14H18N4O3/c1-9(13-15-8-16-18(13)2)17-14(19)10-5-6-11(20-3)12(7-10)21-4/h5-9H,1-4H3,(H,17,19)/t9-/m1/s1
InChIKeyZAKGOUSHQQMUIW-SECBINFHSA-N
MW290.32 g/mol
LogP1.32
Rot. Bonds5

About 3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 129478499) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID129478499
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ncnn2C)cc1OC
InChIInChI=1S/C14H18N4O3/c1-9(13-15-8-16-18(13)2)17-14(19)10-5-6-11(20-3)12(7-10)21-4/h5-9H,1-4H3,(H,17,19)/t9-/m1/s1
InChIKeyZAKGOUSHQQMUIW-SECBINFHSA-N
XLogP1.32
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-aminopropoxy)-4-methoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 125162212
6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 124755292
4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 126444191
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 129478206
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 51079805
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46494747
3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 17009941
3,4-dimethoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010037
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 17009937

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 129478499) is 3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is COc1ccc(C(=O)N[C@H](C)c2ncnn2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is ZAKGOUSHQQMUIW-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(13-15-8-16-18(13)2)17-14(19)10-5-6-11(20-3)12(7-10)21-4/h5-9H,1-4H3,(H,17,19)/t9-/m1/s1.
What are the key properties of 3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 290.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 129478499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).