3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide

C24H27N5O3 — CID 42164519

IUPAC3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide
SMILESCc1cccc(-c2cccc(C(=O)NCCCn3cc(C(=O)N4CCOCC4)nn3)c2)c1
InChIInChI=1S/C24H27N5O3/c1-18-5-2-6-19(15-18)20-7-3-8-21(16-20)23(30)25-9-4-10-29-17-22(26-27-29)24(31)28-11-13-32-14-12-28/h2-3,5-8,15-17H,4,9-14H2,1H3,(H,25,30)
InChIKeyKDYIPZHNYRJUHC-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.55
Rot. Bonds7

About 3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide

3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide (PubChem CID 42164519) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide
PubChem CID42164519
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide
SMILESCc1cccc(-c2cccc(C(=O)NCCCn3cc(C(=O)N4CCOCC4)nn3)c2)c1
InChIInChI=1S/C24H27N5O3/c1-18-5-2-6-19(15-18)20-7-3-8-21(16-20)23(30)25-9-4-10-29-17-22(26-27-29)24(31)28-11-13-32-14-12-28/h2-3,5-8,15-17H,4,9-14H2,1H3,(H,25,30)
InChIKeyKDYIPZHNYRJUHC-UHFFFAOYSA-N
XLogP2.55
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide
CID 42363016
3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide
CID 42189042
morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone
CID 25291197
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
CID 16890049
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 56951245
3-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 118763152

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide?
The IUPAC name of 3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide (CID 42164519) is 3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide is Cc1cccc(-c2cccc(C(=O)NCCCn3cc(C(=O)N4CCOCC4)nn3)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide?
The InChIKey is KDYIPZHNYRJUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-18-5-2-6-19(15-18)20-7-3-8-21(16-20)23(30)25-9-4-10-29-17-22(26-27-29)24(31)28-11-13-32-14-12-28/h2-3,5-8,15-17H,4,9-14H2,1H3,(H,25,30).
What are the key properties of 3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide?
3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide has a molecular weight of 433.51 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[3-[4-(morpholine-4-carbonyl)triazol-1-yl]propyl]benzamide is sourced from PubChem (CID 42164519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).