2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide

C25H23NO4 — CID 7699880

IUPAC2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3ccc4ccccc4c3)ccc12
InChIInChI=1S/C25H23NO4/c1-3-17-13-25(28)30-23-14-21(10-11-22(17)23)29-15-24(27)26-16(2)19-9-8-18-6-4-5-7-20(18)12-19/h4-14,16H,3,15H2,1-2H3,(H,26,27)/t16-/m0/s1
InChIKeySYDMNNYWZFTFEB-INIZCTEOSA-N
MW401.46 g/mol
LogP4.76
Rot. Bonds6

About 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide (PubChem CID 7699880) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
PubChem CID7699880
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3ccc4ccccc4c3)ccc12
InChIInChI=1S/C25H23NO4/c1-3-17-13-25(28)30-23-14-21(10-11-22(17)23)29-15-24(27)26-16(2)19-9-8-18-6-4-5-7-20(18)12-19/h4-14,16H,3,15H2,1-2H3,(H,26,27)/t16-/m0/s1
InChIKeySYDMNNYWZFTFEB-INIZCTEOSA-N
XLogP4.76
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695560
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 46676212
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 171915665
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7936502
N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 42900895
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 7699702
N-[1-(4-bromophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16548257
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402692
N-[(1R)-1-naphthalen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 7733632

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide (CID 7699880) is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide is CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3ccc4ccccc4c3)ccc12.
What is the InChIKey of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
The InChIKey is SYDMNNYWZFTFEB-INIZCTEOSA-N. The full InChI is InChI=1S/C25H23NO4/c1-3-17-13-25(28)30-23-14-21(10-11-22(17)23)29-15-24(27)26-16(2)19-9-8-18-6-4-5-7-20(18)12-19/h4-14,16H,3,15H2,1-2H3,(H,26,27)/t16-/m0/s1.
What are the key properties of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide?
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide is sourced from PubChem (CID 7699880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).