N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide

C23H26N2O2 — CID 86898258

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide
SMILESCN(C)CCCOc1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O2/c1-25(2)15-6-16-27-21-13-11-20(12-14-21)24-23(26)17-19-9-5-8-18-7-3-4-10-22(18)19/h3-5,7-14H,6,15-17H2,1-2H3,(H,24,26)
InChIKeyIWXATLQRZUPKDC-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.35
Rot. Bonds8

About N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide

N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 86898258) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide
PubChem CID86898258
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide
SMILESCN(C)CCCOc1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O2/c1-25(2)15-6-16-27-21-13-11-20(12-14-21)24-23(26)17-19-9-5-8-18-7-3-4-10-22(18)19/h3-5,7-14H,6,15-17H2,1-2H3,(H,24,26)
InChIKeyIWXATLQRZUPKDC-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(1-ethylindol-3-yl)acetamide
CID 86898302
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-naphthalen-1-ylacetamide
CID 38381033
2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide
CID 4952511
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7779976
N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 110930980
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 17133220
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
CID 4146159

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide (CID 86898258) is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide is CN(C)CCCOc1ccc(NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is IWXATLQRZUPKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-25(2)15-6-16-27-21-13-11-20(12-14-21)24-23(26)17-19-9-5-8-18-7-3-4-10-22(18)19/h3-5,7-14H,6,15-17H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide?
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 362.47 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 86898258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).