N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide

C21H25N3O4 — CID 110606227

IUPACN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)NCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C21H25N3O4/c1-24(2)17-9-7-16(8-10-17)23-21(27)14-22-20(26)12-11-19(25)15-5-4-6-18(13-15)28-3/h4-10,13H,11-12,14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyMBNDVSALGYYCRY-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.48
Rot. Bonds9

About N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide

N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide (PubChem CID 110606227) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
PubChem CID110606227
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)NCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C21H25N3O4/c1-24(2)17-9-7-16(8-10-17)23-21(27)14-22-20(26)12-11-19(25)15-5-4-6-18(13-15)28-3/h4-10,13H,11-12,14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyMBNDVSALGYYCRY-UHFFFAOYSA-N
XLogP2.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110424715
N-(2-anilino-2-oxoethyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110624279
methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
CID 110424348
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110426251
N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039563
methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 26583191
N-[4-(dimethylamino)phenyl]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 110673431
[2-(3-methoxyphenyl)-2-oxoethyl] 4-(4-methylanilino)-4-oxobutanoate
CID 3850666
methyl 3-[[3-[4-(dimethylamino)anilino]-3-oxopropanoyl]amino]benzoate
CID 108956329
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
3-methoxy-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999073

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide (CID 110606227) is N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide is COc1cccc(C(=O)CCC(=O)NCC(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The InChIKey is MBNDVSALGYYCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-24(2)17-9-7-16(8-10-17)23-21(27)14-22-20(26)12-11-19(25)15-5-4-6-18(13-15)28-3/h4-10,13H,11-12,14H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide has a molecular weight of 383.45 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 110606227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).