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

C27H34N4O2 — CID 30508985

IUPACN-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
SMILESCN1CCN([C@@H](CNC(=O)COc2ccc3ccccc3c2)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C27H34N4O2/c1-29(2)24-11-8-22(9-12-24)26(31-16-14-30(3)15-17-31)19-28-27(32)20-33-25-13-10-21-6-4-5-7-23(21)18-25/h4-13,18,26H,14-17,19-20H2,1-3H3,(H,28,32)/t26-/m0/s1
InChIKeyUEJFSXIZCUJVFF-SANMLTNESA-N
MW446.60 g/mol
LogP3.39
Rot. Bonds8

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

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 30508985) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
PubChem CID30508985
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
SMILESCN1CCN([C@@H](CNC(=O)COc2ccc3ccccc3c2)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C27H34N4O2/c1-29(2)24-11-8-22(9-12-24)26(31-16-14-30(3)15-17-31)19-28-27(32)20-33-25-13-10-21-6-4-5-7-23(21)18-25/h4-13,18,26H,14-17,19-20H2,1-3H3,(H,28,32)/t26-/m0/s1
InChIKeyUEJFSXIZCUJVFF-SANMLTNESA-N
XLogP3.39
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide
CID 30630276
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 43955991
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18564941
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 30509392
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 7496663
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 18564930
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 43956116
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenoxyacetamide
CID 43956255
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30630284
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 27505878
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 7496561

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide (CID 30508985) is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide is CN1CCN([C@@H](CNC(=O)COc2ccc3ccccc3c2)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is UEJFSXIZCUJVFF-SANMLTNESA-N. The full InChI is InChI=1S/C27H34N4O2/c1-29(2)24-11-8-22(9-12-24)26(31-16-14-30(3)15-17-31)19-28-27(32)20-33-25-13-10-21-6-4-5-7-23(21)18-25/h4-13,18,26H,14-17,19-20H2,1-3H3,(H,28,32)/t26-/m0/s1.
What are the key properties of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide?
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 446.60 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 30508985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).