N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide

C22H28N2O3 — CID 55625452

IUPACN-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide
SMILESCCN(C(=O)CCCNC(=O)c1ccc(OC)cc1)c1ccc(C)cc1C
InChIInChI=1S/C22H28N2O3/c1-5-24(20-13-8-16(2)15-17(20)3)21(25)7-6-14-23-22(26)18-9-11-19(27-4)12-10-18/h8-13,15H,5-7,14H2,1-4H3,(H,23,26)
InChIKeyHQPLAGPQRFRWSN-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.88
Rot. Bonds8

About N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide

N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide (PubChem CID 55625452) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide
PubChem CID55625452
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide
SMILESCCN(C(=O)CCCNC(=O)c1ccc(OC)cc1)c1ccc(C)cc1C
InChIInChI=1S/C22H28N2O3/c1-5-24(20-13-8-16(2)15-17(20)3)21(25)7-6-14-23-22(26)18-9-11-19(27-4)12-10-18/h8-13,15H,5-7,14H2,1-4H3,(H,23,26)
InChIKeyHQPLAGPQRFRWSN-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide
CID 78853768
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113057678
4-methoxy-N-pentylbenzamide
CID 3113360
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
(3-methyl-4-nitrophenyl) 4-[(4-methoxybenzoyl)amino]butanoate
CID 55622898
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
2-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113167920
4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide
CID 55920471
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide (CID 55625452) is N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide is CCN(C(=O)CCCNC(=O)c1ccc(OC)cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide?
The InChIKey is HQPLAGPQRFRWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-24(20-13-8-16(2)15-17(20)3)21(25)7-6-14-23-22(26)18-9-11-19(27-4)12-10-18/h8-13,15H,5-7,14H2,1-4H3,(H,23,26).
What are the key properties of N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide?
N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide has a molecular weight of 368.48 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide is sourced from PubChem (CID 55625452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).