N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide

C22H27N5O — CID 138998289

IUPACN-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNC(C)c2nnn(-c3ccc(C)cc3)c2C)c1
InChIInChI=1S/C22H27N5O/c1-5-23-22(28)19-8-6-7-18(13-19)14-24-16(3)21-17(4)27(26-25-21)20-11-9-15(2)10-12-20/h6-13,16,24H,5,14H2,1-4H3,(H,23,28)
InChIKeyPLGWVKZTEIEUOB-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.48
Rot. Bonds7

About N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide

N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide (PubChem CID 138998289) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide
PubChem CID138998289
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNC(C)c2nnn(-c3ccc(C)cc3)c2C)c1
InChIInChI=1S/C22H27N5O/c1-5-23-22(28)19-8-6-7-18(13-19)14-24-16(3)21-17(4)27(26-25-21)20-11-9-15(2)10-12-20/h6-13,16,24H,5,14H2,1-4H3,(H,23,28)
InChIKeyPLGWVKZTEIEUOB-UHFFFAOYSA-N
XLogP3.48
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671214
N-[1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671189
N-ethyl-3-[[2-[[(1R)-1-(1-methyltetrazol-5-yl)ethyl]amino]acetyl]amino]benzamide
CID 124844498
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
N-ethyl-3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]benzamide;hydroiodide
CID 111126010
5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide
CID 86874503
N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide
CID 124847725
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55874855
N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide
CID 99815193
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55873892

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide?
The IUPAC name of N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide (CID 138998289) is N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide.
What is the SMILES notation for N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide?
The canonical SMILES for N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide is CCNC(=O)c1cccc(CNC(C)c2nnn(-c3ccc(C)cc3)c2C)c1.
What is the InChIKey of N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide?
The InChIKey is PLGWVKZTEIEUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-5-23-22(28)19-8-6-7-18(13-19)14-24-16(3)21-17(4)27(26-25-21)20-11-9-15(2)10-12-20/h6-13,16,24H,5,14H2,1-4H3,(H,23,28).
What are the key properties of N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide?
N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[1-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethylamino]methyl]benzamide is sourced from PubChem (CID 138998289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).