N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide

C20H26ClN3O — CID 109038169

IUPACN-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
SMILESCCN(CC)c1ccc(NCCC(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C20H26ClN3O/c1-4-24(5-2)18-10-11-19(15(3)14-18)22-13-12-20(25)23-17-8-6-16(21)7-9-17/h6-11,14,22H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyYXDJEVBHVMLUFL-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.94
Rot. Bonds8

About N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide

N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide (PubChem CID 109038169) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
PubChem CID109038169
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
SMILESCCN(CC)c1ccc(NCCC(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C20H26ClN3O/c1-4-24(5-2)18-10-11-19(15(3)14-18)22-13-12-20(25)23-17-8-6-16(21)7-9-17/h6-11,14,22H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyYXDJEVBHVMLUFL-UHFFFAOYSA-N
XLogP4.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.94
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-(diethylamino)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109040830
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109031413
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide
CID 108955203
3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
CID 109036004
N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
CID 109037588
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
CID 109041734
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide (CID 109038169) is N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide is CCN(CC)c1ccc(NCCC(=O)Nc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide?
The InChIKey is YXDJEVBHVMLUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-4-24(5-2)18-10-11-19(15(3)14-18)22-13-12-20(25)23-17-8-6-16(21)7-9-17/h6-11,14,22H,4-5,12-13H2,1-3H3,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide?
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide has a molecular weight of 359.90 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide is sourced from PubChem (CID 109038169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).