2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C23H31N3O3 — CID 113176865

IUPAC2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NCCc2ccc(OC)cc2)C(C)=O)cc1
InChIInChI=1S/C23H31N3O3/c1-5-25(6-2)20-9-11-21(12-10-20)26(18(3)27)17-23(28)24-16-15-19-7-13-22(29-4)14-8-19/h7-14H,5-6,15-17H2,1-4H3,(H,24,28)
InChIKeyFNSAHWRLISMJKJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.25
Rot. Bonds10

About 2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 113176865) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID113176865
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NCCc2ccc(OC)cc2)C(C)=O)cc1
InChIInChI=1S/C23H31N3O3/c1-5-25(6-2)20-9-11-21(12-10-20)26(18(3)27)17-23(28)24-16-15-19-7-13-22(29-4)14-8-19/h7-14H,5-6,15-17H2,1-4H3,(H,24,28)
InChIKeyFNSAHWRLISMJKJ-UHFFFAOYSA-N
XLogP3.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.25
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-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113168283
2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113172208
2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
CID 113173563
2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113169252
2-(N-acetyl-4-ethylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113169241
methyl 3-[acetyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176237
N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108507482
2-(N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid
CID 25219956
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176399
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 113176865) is 2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is CCN(CC)c1ccc(N(CC(=O)NCCc2ccc(OC)cc2)C(C)=O)cc1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is FNSAHWRLISMJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-5-25(6-2)20-9-11-21(12-10-20)26(18(3)27)17-23(28)24-16-15-19-7-13-22(29-4)14-8-19/h7-14H,5-6,15-17H2,1-4H3,(H,24,28).
What are the key properties of 2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.25, 10 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)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113176865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).