N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide

C25H21NO3 — CID 1310649

IUPACN-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C25H21NO3/c1-28-23-13-10-22(11-14-23)26-25(27)21-8-4-5-18(15-21)17-29-24-12-9-19-6-2-3-7-20(19)16-24/h2-16H,17H2,1H3,(H,26,27)
InChIKeyPDWWYHVDUTUIJC-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.68
Rot. Bonds6

About N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide

N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide (PubChem CID 1310649) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide
PubChem CID1310649
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC NameN-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C25H21NO3/c1-28-23-13-10-22(11-14-23)26-25(27)21-8-4-5-18(15-21)17-29-24-12-9-19-6-2-3-7-20(19)16-24/h2-16H,17H2,1H3,(H,26,27)
InChIKeyPDWWYHVDUTUIJC-UHFFFAOYSA-N
XLogP5.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 903861
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide
CID 82179539
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-phenylmethoxybenzamide
CID 26522423
3-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 3409101
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
N-(naphthalen-2-ylcarbamothioyl)-3-phenylmethoxybenzamide
CID 22775965
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide (CID 1310649) is N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide is COc1ccc(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide?
The InChIKey is PDWWYHVDUTUIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-28-23-13-10-22(11-14-23)26-25(27)21-8-4-5-18(15-21)17-29-24-12-9-19-6-2-3-7-20(19)16-24/h2-16H,17H2,1H3,(H,26,27).
What are the key properties of N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide?
N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(naphthalen-2-yloxymethyl)benzamide is sourced from PubChem (CID 1310649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).