N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C23H27N3O4 — CID 171386772

IUPACN-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)N(Cc3c(C)nn(C)c3C)C3CC3)ccc12
InChIInChI=1S/C23H27N3O4/c1-5-16-10-23(28)30-21-11-18(8-9-19(16)21)29-13-22(27)26(17-6-7-17)12-20-14(2)24-25(4)15(20)3/h8-11,17H,5-7,12-13H2,1-4H3
InChIKeyLDKOQEMAPDQEHD-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.28
Rot. Bonds7

About N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 171386772) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
PubChem CID171386772
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)N(Cc3c(C)nn(C)c3C)C3CC3)ccc12
InChIInChI=1S/C23H27N3O4/c1-5-16-10-23(28)30-21-11-18(8-9-19(16)21)29-13-22(27)26(17-6-7-17)12-20-14(2)24-25(4)15(20)3/h8-11,17H,5-7,12-13H2,1-4H3
InChIKeyLDKOQEMAPDQEHD-UHFFFAOYSA-N
XLogP3.28
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 171909127
N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide
CID 4816840
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097
N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 171912351
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 18130949
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 39017642
N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27859428
7-[2-[(3S,4S)-3-(dimethylamino)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]-4-ethylchromen-2-one
CID 171907681
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 171909334
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643711
butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 171386772) is N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is CCc1cc(=O)oc2cc(OCC(=O)N(Cc3c(C)nn(C)c3C)C3CC3)ccc12.
What is the InChIKey of N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is LDKOQEMAPDQEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-5-16-10-23(28)30-21-11-18(8-9-19(16)21)29-13-22(27)26(17-6-7-17)12-20-14(2)24-25(4)15(20)3/h8-11,17H,5-7,12-13H2,1-4H3.
What are the key properties of N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 171386772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).