N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide

C22H22N2O2 — CID 975423

IUPACN-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide
SMILESC1COCCN1C2=CC=C(C=C2)NC(=O)CC3=CC=CC4=CC=CC=C43
InChIInChI=1S/C22H22N2O2/c25-22(16-18-6-3-5-17-4-1-2-7-21(17)18)23-19-8-10-20(11-9-19)24-12-14-26-15-13-24/h1-11H,12-16H2,(H,23,25)
InChIKeyNTPIHGQHMNABKU-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.70
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide

N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide (PubChem CID 975423) has the molecular formula C22H22N2O2 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide
PubChem CID975423
Molecular FormulaC22H22N2O2
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide
SMILESC1COCCN1C2=CC=C(C=C2)NC(=O)CC3=CC=CC4=CC=CC=C43
InChIInChI=1S/C22H22N2O2/c25-22(16-18-6-3-5-17-4-1-2-7-21(17)18)23-19-8-10-20(11-9-19)24-12-14-26-15-13-24/h1-11H,12-16H2,(H,23,25)
InChIKeyNTPIHGQHMNABKU-UHFFFAOYSA-N
XLogP3.70
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity455

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide (CID 975423) is N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide is C1COCCN1C2=CC=C(C=C2)NC(=O)CC3=CC=CC4=CC=CC=C43.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide?
The InChIKey is NTPIHGQHMNABKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(16-18-6-3-5-17-4-1-2-7-21(17)18)23-19-8-10-20(11-9-19)24-12-14-26-15-13-24/h1-11H,12-16H2,(H,23,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide?
N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide has a molecular weight of 346.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 975423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).