2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide

C27H25N3O3 — CID 56798152

IUPAC2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C27H25N3O3/c31-26(16-22-8-5-7-21-6-1-2-10-25(21)22)30-18-27(32)29-17-20-11-13-24(14-12-20)33-19-23-9-3-4-15-28-23/h1-15H,16-19H2,(H,29,32)(H,30,31)
InChIKeyATEXTAAXGFAQJM-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.79
Rot. Bonds9

About 2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide

2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide (PubChem CID 56798152) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide
PubChem CID56798152
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C27H25N3O3/c31-26(16-22-8-5-7-21-6-1-2-10-25(21)22)30-18-27(32)29-17-20-11-13-24(14-12-20)33-19-23-9-3-4-15-28-23/h1-15H,16-19H2,(H,29,32)(H,30,31)
InChIKeyATEXTAAXGFAQJM-UHFFFAOYSA-N
XLogP3.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid
CID 101045266
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
(E)-N-[2-(benzylamino)-2-oxoethyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55676181
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
2-naphthalen-1-yl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]acetamide
CID 7677981
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7779976

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide (CID 56798152) is 2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide is O=C(CNC(=O)Cc1cccc2ccccc12)NCc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide?
The InChIKey is ATEXTAAXGFAQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-26(16-22-8-5-7-21-6-1-2-10-25(21)22)30-18-27(32)29-17-20-11-13-24(14-12-20)33-19-23-9-3-4-15-28-23/h1-15H,16-19H2,(H,29,32)(H,30,31).
What are the key properties of 2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide?
2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 56798152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).