N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide

C21H29N3O — CID 109007443

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C21H29N3O/c1-6-24(7-2)19-10-11-20(17(5)13-19)23-21(25)14-22-18-9-8-15(3)16(4)12-18/h8-13,22H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyDWJMVLIYVWHGJS-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.51
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide (PubChem CID 109007443) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
PubChem CID109007443
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C21H29N3O/c1-6-24(7-2)19-10-11-20(17(5)13-19)23-21(25)14-22-18-9-8-15(3)16(4)12-18/h8-13,22H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyDWJMVLIYVWHGJS-UHFFFAOYSA-N
XLogP4.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 109008653
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007429
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 109009396
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546
2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 108994734

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide (CID 109007443) is N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide is CCN(CC)c1ccc(NC(=O)CNc2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide?
The InChIKey is DWJMVLIYVWHGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-6-24(7-2)19-10-11-20(17(5)13-19)23-21(25)14-22-18-9-8-15(3)16(4)12-18/h8-13,22H,6-7,14H2,1-5H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide has a molecular weight of 339.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide is sourced from PubChem (CID 109007443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).