N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide

C22H31N3O — CID 109036938

IUPACN-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H31N3O/c1-5-25(6-2)21-13-11-20(12-14-21)24-22(26)15-16-23-19-9-7-18(8-10-19)17(3)4/h7-14,17,23H,5-6,15-16H2,1-4H3,(H,24,26)
InChIKeyWGOMFYYBFUFGBS-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.10
Rot. Bonds9

About N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide

N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide (PubChem CID 109036938) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide
PubChem CID109036938
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H31N3O/c1-5-25(6-2)21-13-11-20(12-14-21)24-22(26)15-16-23-19-9-7-18(8-10-19)17(3)4/h7-14,17,23H,5-6,15-16H2,1-4H3,(H,24,26)
InChIKeyWGOMFYYBFUFGBS-UHFFFAOYSA-N
XLogP5.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.10
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

3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
CID 109036871
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719
3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109035687
3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036899
N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
CID 109037588
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
CID 109041734
3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036621
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide (CID 109036938) is N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide is CCN(CC)c1ccc(NC(=O)CCNc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide?
The InChIKey is WGOMFYYBFUFGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-25(6-2)21-13-11-20(12-14-21)24-22(26)15-16-23-19-9-7-18(8-10-19)17(3)4/h7-14,17,23H,5-6,15-16H2,1-4H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide?
N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide has a molecular weight of 353.51 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide is sourced from PubChem (CID 109036938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).