2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H26N4O3 — CID 113180495

IUPAC2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)Nc2cc(C)on2)C(C)=O)c(C)c1
InChIInChI=1S/C19H26N4O3/c1-6-22(7-2)16-8-9-17(13(3)10-16)23(15(5)24)12-19(25)20-18-11-14(4)26-21-18/h8-11H,6-7,12H2,1-5H3,(H,20,21,25)
InChIKeyNQFFDCCQDMBMTF-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.13
Rot. Bonds7

About 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 113180495) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID113180495
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)Nc2cc(C)on2)C(C)=O)c(C)c1
InChIInChI=1S/C19H26N4O3/c1-6-22(7-2)16-8-9-17(13(3)10-16)23(15(5)24)12-19(25)20-18-11-14(4)26-21-18/h8-11H,6-7,12H2,1-5H3,(H,20,21,25)
InChIKeyNQFFDCCQDMBMTF-UHFFFAOYSA-N
XLogP3.13
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
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

2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide
CID 113180493
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
CID 113180480
2-(N,4-diacetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113175717
2-(N-acetyl-2,6-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113168816
2-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47121660
2-[4-(diethylamino)anilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109010414
2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144211
methyl 2-[ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzoate
CID 56793216
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113172914
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-[(2-methoxyphenyl)methyl]acetamide
CID 113180428

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 113180495) is 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCN(CC)c1ccc(N(CC(=O)Nc2cc(C)on2)C(C)=O)c(C)c1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is NQFFDCCQDMBMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-6-22(7-2)16-8-9-17(13(3)10-16)23(15(5)24)12-19(25)20-18-11-14(4)26-21-18/h8-11H,6-7,12H2,1-5H3,(H,20,21,25).
What are the key properties of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 113180495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).