2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide

C20H26N4O3 — CID 109144211

IUPAC2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)Nc2cc(C)on2)c(C)c1
InChIInChI=1S/C20H26N4O3/c1-5-24(6-2)14-7-8-17(12(3)9-14)21-19(25)15-11-16(15)20(26)22-18-10-13(4)27-23-18/h7-10,15-16H,5-6,11H2,1-4H3,(H,21,25)(H,22,23,26)
InChIKeyAPRXLHIORCBNRF-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.35
Rot. Bonds7

About 2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide

2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide (PubChem CID 109144211) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
PubChem CID109144211
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)Nc2cc(C)on2)c(C)c1
InChIInChI=1S/C20H26N4O3/c1-5-24(6-2)14-7-8-17(12(3)9-14)21-19(25)15-11-16(15)20(26)22-18-10-13(4)27-23-18/h7-10,15-16H,5-6,11H2,1-4H3,(H,21,25)(H,22,23,26)
InChIKeyAPRXLHIORCBNRF-UHFFFAOYSA-N
XLogP3.35
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143459
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133622
2-N-(2,4-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144128
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133257
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200907
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113180495
N-[6-[4-(diethylamino)-2-methylanilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113051011
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139692
2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109010414

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide (CID 109144211) is 2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide is CCN(CC)c1ccc(NC(=O)C2CC2C(=O)Nc2cc(C)on2)c(C)c1.
What is the InChIKey of 2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
The InChIKey is APRXLHIORCBNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-24(6-2)14-7-8-17(12(3)9-14)21-19(25)15-11-16(15)20(26)22-18-10-13(4)27-23-18/h7-10,15-16H,5-6,11H2,1-4H3,(H,21,25)(H,22,23,26).
What are the key properties of 2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide?
2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109144211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).