N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide

C27H34N4O — CID 18564930

IUPACN-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide
SMILESCN1CCN(C(CNC(=O)Cc2cccc3ccccc23)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C27H34N4O/c1-29(2)24-13-11-22(12-14-24)26(31-17-15-30(3)16-18-31)20-28-27(32)19-23-9-6-8-21-7-4-5-10-25(21)23/h4-14,26H,15-20H2,1-3H3,(H,28,32)
InChIKeyDQTVRPIEYHHIOT-UHFFFAOYSA-N
MW430.60 g/mol
LogP3.55
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide

N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide (PubChem CID 18564930) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide
PubChem CID18564930
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide
SMILESCN1CCN(C(CNC(=O)Cc2cccc3ccccc23)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C27H34N4O/c1-29(2)24-13-11-22(12-14-24)26(31-17-15-30(3)16-18-31)20-28-27(32)19-23-9-6-8-21-7-4-5-10-25(21)23/h4-14,26H,15-20H2,1-3H3,(H,28,32)
InChIKeyDQTVRPIEYHHIOT-UHFFFAOYSA-N
XLogP3.55
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
CID 7496868
N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide
CID 43956967
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-methylpropanamide
CID 7497230
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 30508985
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide
CID 7496456
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-fluorobenzamide
CID 7497127
N'-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N-ethyloxamide
CID 18583687
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-phenyloxamide
CID 43996738
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 43956751
3-bromo-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 51629701
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 51628649
N'-tert-butyl-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 7645376

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide (CID 18564930) is N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide is CN1CCN(C(CNC(=O)Cc2cccc3ccccc23)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is DQTVRPIEYHHIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-29(2)24-13-11-22(12-14-24)26(31-17-15-30(3)16-18-31)20-28-27(32)19-23-9-6-8-21-7-4-5-10-25(21)23/h4-14,26H,15-20H2,1-3H3,(H,28,32).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide?
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 430.60 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 18564930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).