N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide

C28H25NO3 — CID 23360886

IUPACN-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cc(C(=O)c2ccccc2)cc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C28H25NO3/c1-20(30)29-15-14-24-17-25(28(31)22-10-6-3-7-11-22)16-23-12-13-26(18-27(23)24)32-19-21-8-4-2-5-9-21/h2-13,16-18H,14-15,19H2,1H3,(H,29,30)
InChIKeyNMDDJWQMDXRGOG-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.33
Rot. Bonds8

About N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide

N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 23360886) has the molecular formula C28H25NO3 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID23360886
Molecular FormulaC28H25NO3
Molecular Weight423.51 g/mol
Exact Mass423.18
IUPAC NameN-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cc(C(=O)c2ccccc2)cc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C28H25NO3/c1-20(30)29-15-14-24-17-25(28(31)22-10-6-3-7-11-22)16-23-12-13-26(18-27(23)24)32-19-21-8-4-2-5-9-21/h2-13,16-18H,14-15,19H2,1H3,(H,29,30)
InChIKeyNMDDJWQMDXRGOG-UHFFFAOYSA-N
XLogP5.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide
CID 23360831
N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide
CID 23360915
N-(7-phenylmethoxynaphthalen-1-yl)acetamide
CID 91699937
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide;methane;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)acetonitrile;2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethanamine;N-[2-(7-methoxy-3-phenylmethoxynaphthalen-1-yl)ethyl]acetamide;molecular iodine
CID 159235408
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 172781894
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide (CID 23360886) is N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide is CC(=O)NCCc1cc(C(=O)c2ccccc2)cc2ccc(OCc3ccccc3)cc12.
What is the InChIKey of N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is NMDDJWQMDXRGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3/c1-20(30)29-15-14-24-17-25(28(31)22-10-6-3-7-11-22)16-23-12-13-26(18-27(23)24)32-19-21-8-4-2-5-9-21/h2-13,16-18H,14-15,19H2,1H3,(H,29,30).
What are the key properties of N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 423.51 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 23360886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).