N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide

C20H28N6O2 — CID 112521428

IUPACN-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2cc(NC(=O)C3CCC3)nn2)c(C)c1
InChIInChI=1S/C20H28N6O2/c1-4-25(5-2)16-9-10-17(14(3)11-16)21-19(27)13-26-12-18(23-24-26)22-20(28)15-7-6-8-15/h9-12,15H,4-8,13H2,1-3H3,(H,21,27)(H,22,28)
InChIKeyKBVVGDPRYIGYFV-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.81
Rot. Bonds8

About N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide

N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide (PubChem CID 112521428) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
PubChem CID112521428
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC NameN-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2cc(NC(=O)C3CCC3)nn2)c(C)c1
InChIInChI=1S/C20H28N6O2/c1-4-25(5-2)16-9-10-17(14(3)11-16)21-19(27)13-26-12-18(23-24-26)22-20(28)15-7-6-8-15/h9-12,15H,4-8,13H2,1-3H3,(H,21,27)(H,22,28)
InChIKeyKBVVGDPRYIGYFV-UHFFFAOYSA-N
XLogP2.81
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide 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-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521423
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520718
N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113051011
tert-butyl 3-[[4-(diethylamino)-2-methylphenyl]carbamoyl]piperidine-1-carboxylate
CID 84554748
3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113116691
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112521419
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44753800
N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520299
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide (CID 112521428) is N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide is CCN(CC)c1ccc(NC(=O)Cn2cc(NC(=O)C3CCC3)nn2)c(C)c1.
What is the InChIKey of N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The InChIKey is KBVVGDPRYIGYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-4-25(5-2)16-9-10-17(14(3)11-16)21-19(27)13-26-12-18(23-24-26)22-20(28)15-7-6-8-15/h9-12,15H,4-8,13H2,1-3H3,(H,21,27)(H,22,28).
What are the key properties of N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 112521428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).