2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide

C23H31N3O3 — CID 113180480

IUPAC2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C(C)=O)c2ccc(N(CC)CC)cc2C)cc1
InChIInChI=1S/C23H31N3O3/c1-6-25(7-2)20-11-14-22(17(4)15-20)26(18(5)27)16-23(28)24-19-9-12-21(13-10-19)29-8-3/h9-15H,6-8,16H2,1-5H3,(H,24,28)
InChIKeyOKBBJUBKNGVXBQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.23
Rot. Bonds9

About 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide

2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 113180480) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
PubChem CID113180480
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C(C)=O)c2ccc(N(CC)CC)cc2C)cc1
InChIInChI=1S/C23H31N3O3/c1-6-25(7-2)20-11-14-22(17(4)15-20)26(18(5)27)16-23(28)24-19-9-12-21(13-10-19)29-8-3/h9-15H,6-8,16H2,1-5H3,(H,24,28)
InChIKeyOKBBJUBKNGVXBQ-UHFFFAOYSA-N
XLogP4.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
2-(N-acetyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113173936
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113180495
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide
CID 113180493
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 113175341
2-(N-acetyl-3,4-dichloroanilino)-N-(4-ethoxyphenyl)acetamide
CID 113179508
2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113168581
2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide
CID 113180757
2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113169714
2-(N-acetyl-2,6-dichloroanilino)-N-(4-ethoxyphenyl)acetamide
CID 113180044
2-(N-acetyl-4-ethoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113173935

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide (CID 113180480) is 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(C(C)=O)c2ccc(N(CC)CC)cc2C)cc1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is OKBBJUBKNGVXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-6-25(7-2)20-11-14-22(17(4)15-20)26(18(5)27)16-23(28)24-19-9-12-21(13-10-19)29-8-3/h9-15H,6-8,16H2,1-5H3,(H,24,28).
What are the key properties of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide?
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 397.52 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 113180480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).