N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide

C22H29N3O2 — CID 110606172

IUPACN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(=O)Nc2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C22H29N3O2/c1-16-8-9-18(14-17(16)2)6-5-7-21(26)23-15-22(27)24-19-10-12-20(13-11-19)25(3)4/h8-14H,5-7,15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyRAQLXYUTQXXYEL-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.45
Rot. Bonds8

About N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide

N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide (PubChem CID 110606172) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
PubChem CID110606172
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(=O)Nc2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C22H29N3O2/c1-16-8-9-18(14-17(16)2)6-5-7-21(26)23-15-22(27)24-19-10-12-20(13-11-19)25(3)4/h8-14H,5-7,15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyRAQLXYUTQXXYEL-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.45
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

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110606364
4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide
CID 110424664
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110423518
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-[4-(dimethylamino)phenyl]propanoate
CID 8003560
N-[4-[3-[4-(dimethylamino)phenyl]propylcarbamoylamino]phenyl]propanamide
CID 86994929
4-(3,4-dimethylphenyl)-N-[2-[methyl(phenyl)sulfamoyl]ethyl]butanamide
CID 110626723
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-ethoxyphenyl)acetamide
CID 110407244
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
CID 110407235
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-(2-methylphenyl)butanamide
CID 110606337
N-[4-(dimethylamino)phenyl]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 110673431

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
The IUPAC name of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide (CID 110606172) is N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
The canonical SMILES for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide is Cc1ccc(CCCC(=O)NCC(=O)Nc2ccc(N(C)C)cc2)cc1C.
What is the InChIKey of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
The InChIKey is RAQLXYUTQXXYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-8-9-18(14-17(16)2)6-5-7-21(26)23-15-22(27)24-19-10-12-20(13-11-19)25(3)4/h8-14H,5-7,15H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide?
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide has a molecular weight of 367.49 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide is sourced from PubChem (CID 110606172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).