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

C24H21NO3 — CID 23360831

IUPACN-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide
SMILESC#CCOc1ccc2cc(C(=O)c3ccccc3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C24H21NO3/c1-3-13-28-22-10-9-19-14-21(24(27)18-7-5-4-6-8-18)15-20(23(19)16-22)11-12-25-17(2)26/h1,4-10,14-16H,11-13H2,2H3,(H,25,26)
InChIKeyMNGWNGPWIUDZCV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.76
Rot. Bonds7

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

N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 23360831) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID23360831
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC NameN-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide
SMILESC#CCOc1ccc2cc(C(=O)c3ccccc3)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C24H21NO3/c1-3-13-28-22-10-9-19-14-21(24(27)18-7-5-4-6-8-18)15-20(23(19)16-22)11-12-25-17(2)26/h1,4-10,14-16H,11-13H2,2H3,(H,25,26)
InChIKeyMNGWNGPWIUDZCV-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-benzoyl-7-phenylmethoxynaphthalen-1-yl)ethyl]acetamide
CID 23360886
N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide
CID 23360915
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
[2,4-bis(prop-2-ynoxy)phenyl]-phenylmethanone
CID 154134222
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[2-(7-cyclopropyloxy-3-hydroxynaphthalen-1-yl)ethyl]acetamide
CID 162686348
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide (CID 23360831) is N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide is C#CCOc1ccc2cc(C(=O)c3ccccc3)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is MNGWNGPWIUDZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-3-13-28-22-10-9-19-14-21(24(27)18-7-5-4-6-8-18)15-20(23(19)16-22)11-12-25-17(2)26/h1,4-10,14-16H,11-13H2,2H3,(H,25,26).
What are the key properties of N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(3-benzoyl-7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.76, 7 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-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 23360831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).