N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

C22H30N4O2 — CID 109022061

IUPACN-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCOc1ccccc1CNC(=O)CCNc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-25-13-15-26(16-14-25)20-9-7-19(8-10-20)23-12-11-22(27)24-17-18-5-3-4-6-21(18)28-2/h3-10,23H,11-17H2,1-2H3,(H,24,27)
InChIKeyLHBRICZTTFHEJI-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.57
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (PubChem CID 109022061) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
PubChem CID109022061
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCOc1ccccc1CNC(=O)CCNc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-25-13-15-26(16-14-25)20-9-7-19(8-10-20)23-12-11-22(27)24-17-18-5-3-4-6-21(18)28-2/h3-10,23H,11-17H2,1-2H3,(H,24,27)
InChIKeyLHBRICZTTFHEJI-UHFFFAOYSA-N
XLogP2.57
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.57
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-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109019204
N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109021431
N-[(2-methoxyphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527615
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109025321
N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891852
N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108985391
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
methyl 4-[4-[(2-methoxyphenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113108106
3-(3-methoxyanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109039569
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (CID 109022061) is N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is COc1ccccc1CNC(=O)CCNc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The InChIKey is LHBRICZTTFHEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25-13-15-26(16-14-25)20-9-7-19(8-10-20)23-12-11-22(27)24-17-18-5-3-4-6-21(18)28-2/h3-10,23H,11-17H2,1-2H3,(H,24,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide has a molecular weight of 382.51 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is sourced from PubChem (CID 109022061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).