2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide

C19H31N5O2 — CID 113177382

IUPAC2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCN(C)C)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N5O2/c1-16(25)24(15-19(26)20-9-10-21(2)3)18-7-5-17(6-8-18)23-13-11-22(4)12-14-23/h5-8H,9-15H2,1-4H3,(H,20,26)
InChIKeyGPPXMJDUNSECMJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.47
Rot. Bonds7

About 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide

2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 113177382) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID113177382
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCN(C)C)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H31N5O2/c1-16(25)24(15-19(26)20-9-10-21(2)3)18-7-5-17(6-8-18)23-13-11-22(4)12-14-23/h5-8H,9-15H2,1-4H3,(H,20,26)
InChIKeyGPPXMJDUNSECMJ-UHFFFAOYSA-N
XLogP0.47
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.47
H-Bond Donors ≤ 51
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

2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113167666
3-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-butylpropanamide
CID 113132222
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113132121
3-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]propanoic acid
CID 82320447
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062524
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide
CID 113177416
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113062300
N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113062527
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide
CID 113177424
2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113167668
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172934
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide (CID 113177382) is 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide is CC(=O)N(CC(=O)NCCN(C)C)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is GPPXMJDUNSECMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-16(25)24(15-19(26)20-9-10-21(2)3)18-7-5-17(6-8-18)23-13-11-22(4)12-14-23/h5-8H,9-15H2,1-4H3,(H,20,26).
What are the key properties of 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide?
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 113177382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).