N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide

C23H31N3O — CID 109035126

IUPACN-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCc1ccc(NC(=O)CCNc2ccc(N3CCC(C)CC3)cc2)c(C)c1
InChIInChI=1S/C23H31N3O/c1-17-11-14-26(15-12-17)21-7-5-20(6-8-21)24-13-10-23(27)25-22-9-4-18(2)16-19(22)3/h4-9,16-17,24H,10-15H2,1-3H3,(H,25,27)
InChIKeyKJBKVJCXBMKKJR-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.98
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide

N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide (PubChem CID 109035126) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
PubChem CID109035126
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCc1ccc(NC(=O)CCNc2ccc(N3CCC(C)CC3)cc2)c(C)c1
InChIInChI=1S/C23H31N3O/c1-17-11-14-26(15-12-17)21-7-5-20(6-8-21)24-13-10-23(27)25-22-9-4-18(2)16-19(22)3/h4-9,16-17,24H,10-15H2,1-3H3,(H,25,27)
InChIKeyKJBKVJCXBMKKJR-UHFFFAOYSA-N
XLogP4.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.98
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-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128
3-(2,4-dimethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109035216
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 109035100
N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109010555
N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557708
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013371
methyl 3-[[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]amino]benzoate
CID 109041431
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide (CID 109035126) is N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide is Cc1ccc(NC(=O)CCNc2ccc(N3CCC(C)CC3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The InChIKey is KJBKVJCXBMKKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17-11-14-26(15-12-17)21-7-5-20(6-8-21)24-13-10-23(27)25-22-9-4-18(2)16-19(22)3/h4-9,16-17,24H,10-15H2,1-3H3,(H,25,27).
What are the key properties of N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide has a molecular weight of 365.52 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide is sourced from PubChem (CID 109035126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).