2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide

C18H23NO4 — CID 7699702

IUPAC2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NCCC(C)C)ccc12
InChIInChI=1S/C18H23NO4/c1-4-13-9-18(21)23-16-10-14(5-6-15(13)16)22-11-17(20)19-8-7-12(2)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,19,20)
InChIKeySVVNOHCZANNCMF-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.90
Rot. Bonds7

About 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide (PubChem CID 7699702) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
PubChem CID7699702
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NCCC(C)C)ccc12
InChIInChI=1S/C18H23NO4/c1-4-13-9-18(21)23-16-10-14(5-6-15(13)16)22-11-17(20)19-8-7-12(2)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,19,20)
InChIKeySVVNOHCZANNCMF-UHFFFAOYSA-N
XLogP2.90
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.90
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-(propylcarbamoyl)acetamide
CID 41402767
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695560
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
N-[(2S)-5-methylhexan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7688955
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 7699880
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
3-methyl-2-[[2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]acetyl]amino]butanoic acid
CID 3716329
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 46676212
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide (CID 7699702) is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide is CCc1cc(=O)oc2cc(OCC(=O)NCCC(C)C)ccc12.
What is the InChIKey of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide?
The InChIKey is SVVNOHCZANNCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-4-13-9-18(21)23-16-10-14(5-6-15(13)16)22-11-17(20)19-8-7-12(2)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide?
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.90, 7 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 7699702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).