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

C23H26N2O2 — CID 4713855

IUPACN-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H26N2O2/c1-4-7-21(27)24-23(17-10-13-18(14-11-17)25(2)3)22-19-9-6-5-8-16(19)12-15-20(22)26/h5-6,8-15,23,26H,4,7H2,1-3H3,(H,24,27)
InChIKeyQLLLGTLCYGMVDG-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.62
Rot. Bonds6

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

N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]butanamide (PubChem CID 4713855) 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]butanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]butanamide
PubChem CID4713855
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H26N2O2/c1-4-7-21(27)24-23(17-10-13-18(14-11-17)25(2)3)22-19-9-6-5-8-16(19)12-15-20(22)26/h5-6,8-15,23,26H,4,7H2,1-3H3,(H,24,27)
InChIKeyQLLLGTLCYGMVDG-UHFFFAOYSA-N
XLogP4.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.62
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]butanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]butanamide (CID 4713855) is N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]butanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]butanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]butanamide is CCCC(=O)NC(c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]butanamide?
The InChIKey is QLLLGTLCYGMVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-4-7-21(27)24-23(17-10-13-18(14-11-17)25(2)3)22-19-9-6-5-8-16(19)12-15-20(22)26/h5-6,8-15,23,26H,4,7H2,1-3H3,(H,24,27).
What are the key properties of N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]butanamide?
N-[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]butanamide has a molecular weight of 362.47 g/mol, XLogP of 4.62, 6 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]butanamide is sourced from PubChem (CID 4713855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).