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

C23H31N3O3 — CID 113180428

IUPAC2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NCc2ccccc2OC)C(C)=O)c(C)c1
InChIInChI=1S/C23H31N3O3/c1-6-25(7-2)20-12-13-21(17(3)14-20)26(18(4)27)16-23(28)24-15-19-10-8-9-11-22(19)29-5/h8-14H,6-7,15-16H2,1-5H3,(H,24,28)
InChIKeyIFHIZHTVRSBATB-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.52
Rot. Bonds9

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

2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 113180428) 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-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID113180428
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NCc2ccccc2OC)C(C)=O)c(C)c1
InChIInChI=1S/C23H31N3O3/c1-6-25(7-2)20-12-13-21(17(3)14-20)26(18(4)27)16-23(28)24-15-19-10-8-9-11-22(19)29-5/h8-14H,6-7,15-16H2,1-5H3,(H,24,28)
InChIKeyIFHIZHTVRSBATB-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998497
2-(N-acetyl-4-ethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113169240
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide
CID 113180493
2-(N-acetyl-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113167302
2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113178082
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
CID 113180480
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113180495
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51342573
3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113128858
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8550310
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113172670
2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113167430

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 113180428) is 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide is CCN(CC)c1ccc(N(CC(=O)NCc2ccccc2OC)C(C)=O)c(C)c1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is IFHIZHTVRSBATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-6-25(7-2)20-12-13-21(17(3)14-20)26(18(4)27)16-23(28)24-15-19-10-8-9-11-22(19)29-5/h8-14H,6-7,15-16H2,1-5H3,(H,24,28).
What are the key properties of 2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.52, 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-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113180428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).