[4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone

C30H34N4O2 — CID 145299990

IUPAC[4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone
SMILESCCN(CC)CCc1nnn(Cc2ccc(C)cc2)c1-c1ccc(C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H34N4O2/c1-5-33(6-2)20-19-28-29(34(32-31-28)21-23-9-7-22(3)8-10-23)24-11-13-25(14-12-24)30(35)26-15-17-27(36-4)18-16-26/h7-18H,5-6,19-21H2,1-4H3
InChIKeyHYMGIXKFOMFOFO-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.43
Rot. Bonds11

About [4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone

[4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone (PubChem CID 145299990) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is [4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone
PubChem CID145299990
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name[4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone
SMILESCCN(CC)CCc1nnn(Cc2ccc(C)cc2)c1-c1ccc(C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H34N4O2/c1-5-33(6-2)20-19-28-29(34(32-31-28)21-23-9-7-22(3)8-10-23)24-11-13-25(14-12-24)30(35)26-15-17-27(36-4)18-16-26/h7-18H,5-6,19-21H2,1-4H3
InChIKeyHYMGIXKFOMFOFO-UHFFFAOYSA-N
XLogP5.43
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone with MolForge

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Related Compounds

[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
4-[4-[[5-[2-(diethylamino)ethyl]-3-(4-methylphenyl)triazol-4-yl]methyl]phenyl]benzamide
CID 129076524
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
CID 11645597
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
methyl 5-(chloromethyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 155422677
4-bromo-1-[(4-methoxyphenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
CID 19586803
1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575

Frequently Asked Questions

What is the IUPAC name of [4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone (CID 145299990) is [4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone is CCN(CC)CCc1nnn(Cc2ccc(C)cc2)c1-c1ccc(C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone?
The InChIKey is HYMGIXKFOMFOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-5-33(6-2)20-19-28-29(34(32-31-28)21-23-9-7-22(3)8-10-23)24-11-13-25(14-12-24)30(35)26-15-17-27(36-4)18-16-26/h7-18H,5-6,19-21H2,1-4H3.
What are the key properties of [4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone?
[4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone has a molecular weight of 482.63 g/mol, XLogP of 5.43, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[2-(diethylamino)ethyl]-3-[(4-methylphenyl)methyl]triazol-4-yl]phenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 145299990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).