4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide

C24H20N2O2 — CID 171446895

IUPAC4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3ccccc3c2Oc2ccc(N)cc2)cc1
InChIInChI=1S/C24H20N2O2/c1-26-24(27)18-8-6-17(7-9-18)22-15-10-16-4-2-3-5-21(16)23(22)28-20-13-11-19(25)12-14-20/h2-15H,25H2,1H3,(H,26,27)
InChIKeyDHMYOPLYHMVREE-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.24
Rot. Bonds4

About 4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide

4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide (PubChem CID 171446895) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide
PubChem CID171446895
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3ccccc3c2Oc2ccc(N)cc2)cc1
InChIInChI=1S/C24H20N2O2/c1-26-24(27)18-8-6-17(7-9-18)22-15-10-16-4-2-3-5-21(16)23(22)28-20-13-11-19(25)12-14-20/h2-15H,25H2,1H3,(H,26,27)
InChIKeyDHMYOPLYHMVREE-UHFFFAOYSA-N
XLogP5.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-N-methylbenzamide
CID 131636828
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
CID 70018001
(E)-3-[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 70014901
[4-[2-(4-hydroxyphenyl)naphthalen-1-yl]oxyphenyl] but-3-enoate
CID 67602837
4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide
CID 141180641
2-(4-aminophenyl)naphthalen-1-ol
CID 154335027
2-[4-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602112
N-methyl-4-quinolin-5-ylbenzamide
CID 119066467
2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide
CID 70231169
N-methyl-4-phenylmethoxybenzamide
CID 2996745
4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide
CID 89203284

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide (CID 171446895) is 4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3ccccc3c2Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide?
The InChIKey is DHMYOPLYHMVREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-26-24(27)18-8-6-17(7-9-18)22-15-10-16-4-2-3-5-21(16)23(22)28-20-13-11-19(25)12-14-20/h2-15H,25H2,1H3,(H,26,27).
What are the key properties of 4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide?
4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide has a molecular weight of 368.44 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenoxy)naphthalen-2-yl]-N-methylbenzamide is sourced from PubChem (CID 171446895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).