[(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium

C23H28N3O+ — CID 7496036

IUPAC[(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium
SMILESCN(C)c1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)[NH+](C)C)cc1
InChIInChI=1S/C23H27N3O/c1-25(2)21-13-11-18(12-14-21)22(26(3)4)16-24-23(27)20-10-9-17-7-5-6-8-19(17)15-20/h5-15,22H,16H2,1-4H3,(H,24,27)/p+1/t22-/m0/s1
InChIKeyCHXLIYWTNHKJQD-QFIPXVFZSA-O
MW362.50 g/mol
LogP2.52
Rot. Bonds6

About [(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium

[(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium (PubChem CID 7496036) has the molecular formula C23H28N3O+ and a molecular weight of 362.50 g/mol. Its IUPAC name is [(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium
PubChem CID7496036
Molecular FormulaC23H28N3O+
Molecular Weight362.50 g/mol
Exact Mass362.22
IUPAC Name[(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium
SMILESCN(C)c1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)[NH+](C)C)cc1
InChIInChI=1S/C23H27N3O/c1-25(2)21-13-11-18(12-14-21)22(26(3)4)16-24-23(27)20-10-9-17-7-5-6-8-19(17)15-20/h5-15,22H,16H2,1-4H3,(H,24,27)/p+1/t22-/m0/s1
InChIKeyCHXLIYWTNHKJQD-QFIPXVFZSA-O
XLogP2.52
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]naphthalene-2-carboxamide
CID 90581445
[(1R)-1-[4-(dimethylamino)phenyl]-2-[(3-methylbenzoyl)amino]ethyl]-dimethylazanium
CID 7496063
[(1R)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7495923
[(1S)-2-[(3-chlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7495921
[(1R)-2-[(3,4-dimethoxybenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7496032
[(1S)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-1-carbonylamino)ethyl]-dimethylazanium
CID 7496006
[(1S)-1-[4-(dimethylamino)phenyl]-2-(phenoxycarbonylamino)ethyl]-dimethylazanium
CID 7496155
[(1S)-2-[(2,5-dichlorobenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7495893
[(1R)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439282
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439285
[(1R)-1-[4-(dimethylamino)phenyl]-2-[[2-(3-methylphenyl)acetyl]amino]ethyl]-dimethylazanium
CID 7495970
2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone
CID 102341898

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium (CID 7496036) is [(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium is CN(C)c1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)[NH+](C)C)cc1.
What is the InChIKey of [(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium?
The InChIKey is CHXLIYWTNHKJQD-QFIPXVFZSA-O. The full InChI is InChI=1S/C23H27N3O/c1-25(2)21-13-11-18(12-14-21)22(26(3)4)16-24-23(27)20-10-9-17-7-5-6-8-19(17)15-20/h5-15,22H,16H2,1-4H3,(H,24,27)/p+1/t22-/m0/s1.
What are the key properties of [(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium?
[(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium has a molecular weight of 362.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-(dimethylamino)phenyl]-2-(naphthalene-2-carbonylamino)ethyl]-dimethylazanium is sourced from PubChem (CID 7496036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).