N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide

C23H26N2O2 — CID 3129259

IUPACN-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H26N2O2/c1-15(2)23(27)24-22(17-9-12-18(13-10-17)25(3)4)21-19-8-6-5-7-16(19)11-14-20(21)26/h5-15,22,26H,1-4H3,(H,24,27)
InChIKeyXDKCWAFOHBGELE-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.47
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide

N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide (PubChem CID 3129259) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide
PubChem CID3129259
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H26N2O2/c1-15(2)23(27)24-22(17-9-12-18(13-10-17)25(3)4)21-19-8-6-5-7-16(19)11-14-20(21)26/h5-15,22,26H,1-4H3,(H,24,27)
InChIKeyXDKCWAFOHBGELE-UHFFFAOYSA-N
XLogP4.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide (CID 3129259) is N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NC(c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide?
The InChIKey is XDKCWAFOHBGELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15(2)23(27)24-22(17-9-12-18(13-10-17)25(3)4)21-19-8-6-5-7-16(19)11-14-20(21)26/h5-15,22,26H,1-4H3,(H,24,27).
What are the key properties of N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide?
N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide has a molecular weight of 362.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 3129259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).