N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide

C23H26N2O2 — CID 3677343

IUPACN-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide
SMILESCN(C)CCCNC(=O)c1cccc(COc2cccc3ccccc23)c1
InChIInChI=1S/C23H26N2O2/c1-25(2)15-7-14-24-23(26)20-11-5-8-18(16-20)17-27-22-13-6-10-19-9-3-4-12-21(19)22/h3-6,8-13,16H,7,14-15,17H2,1-2H3,(H,24,26)
InChIKeyNXCOARYHCFDUFW-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.10
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide

N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide (PubChem CID 3677343) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide
PubChem CID3677343
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide
SMILESCN(C)CCCNC(=O)c1cccc(COc2cccc3ccccc23)c1
InChIInChI=1S/C23H26N2O2/c1-25(2)15-7-14-24-23(26)20-11-5-8-18(16-20)17-27-22-13-6-10-19-9-3-4-12-21(19)22/h3-6,8-13,16H,7,14-15,17H2,1-2H3,(H,24,26)
InChIKeyNXCOARYHCFDUFW-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide (CID 3677343) is N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide is CN(C)CCCNC(=O)c1cccc(COc2cccc3ccccc23)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide?
The InChIKey is NXCOARYHCFDUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-25(2)15-7-14-24-23(26)20-11-5-8-18(16-20)17-27-22-13-6-10-19-9-3-4-12-21(19)22/h3-6,8-13,16H,7,14-15,17H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide?
N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide has a molecular weight of 362.47 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(naphthalen-1-yloxymethyl)benzamide is sourced from PubChem (CID 3677343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).