N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide

C27H30N6O2 — CID 66558827

IUPACN-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide
SMILESCCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4cccc(OC)c4)cc3)c2)nn1
InChIInChI=1S/C27H30N6O2/c1-4-32(5-2)18-24-19-33(31-30-24)25-10-7-9-23(17-25)28-21-12-14-22(15-13-21)29-27(34)20-8-6-11-26(16-20)35-3/h6-17,19,28H,4-5,18H2,1-3H3,(H,29,34)
InChIKeyCJOQBDSWXBODEU-UHFFFAOYSA-N
MW470.58 g/mol
LogP5.11
Rot. Bonds10

About N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide

N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide (PubChem CID 66558827) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide
PubChem CID66558827
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide
SMILESCCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4cccc(OC)c4)cc3)c2)nn1
InChIInChI=1S/C27H30N6O2/c1-4-32(5-2)18-24-19-33(31-30-24)25-10-7-9-23(17-25)28-21-12-14-22(15-13-21)29-27(34)20-8-6-11-26(16-20)35-3/h6-17,19,28H,4-5,18H2,1-3H3,(H,29,34)
InChIKeyCJOQBDSWXBODEU-UHFFFAOYSA-N
XLogP5.11
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide
CID 112987423
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
N-[4-[3-[4-(2-methylpropyl)triazol-1-yl]anilino]phenyl]pyridine-2-carboxamide
CID 146295811
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 155944475
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
CID 113035591
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
CID 35761483

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide (CID 66558827) is N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide is CCN(CC)Cc1cn(-c2cccc(Nc3ccc(NC(=O)c4cccc(OC)c4)cc3)c2)nn1.
What is the InChIKey of N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide?
The InChIKey is CJOQBDSWXBODEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-4-32(5-2)18-24-19-33(31-30-24)25-10-7-9-23(17-25)28-21-12-14-22(15-13-21)29-27(34)20-8-6-11-26(16-20)35-3/h6-17,19,28H,4-5,18H2,1-3H3,(H,29,34).
What are the key properties of N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide?
N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide has a molecular weight of 470.58 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 66558827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).