(2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide

C25H27N3O3 — CID 95807099

IUPAC(2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21)n1ncc2ccccc2c1=O
InChIInChI=1S/C25H27N3O3/c1-17(28-24(30)19-10-4-3-9-18(19)16-26-28)23(29)27-21-15-25(13-7-2-8-14-25)31-22-12-6-5-11-20(21)22/h3-6,9-12,16-17,21H,2,7-8,13-15H2,1H3,(H,27,29)/t17-,21-/m1/s1
InChIKeyZGBRRSWWBWOQIP-DYESRHJHSA-N
MW417.51 g/mol
LogP4.30
Rot. Bonds3

About (2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide

(2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide (PubChem CID 95807099) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is (2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide
PubChem CID95807099
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name(2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide
SMILESC[C@H](C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21)n1ncc2ccccc2c1=O
InChIInChI=1S/C25H27N3O3/c1-17(28-24(30)19-10-4-3-9-18(19)16-26-28)23(29)27-21-15-25(13-7-2-8-14-25)31-22-12-6-5-11-20(21)22/h3-6,9-12,16-17,21H,2,7-8,13-15H2,1H3,(H,27,29)/t17-,21-/m1/s1
InChIKeyZGBRRSWWBWOQIP-DYESRHJHSA-N
XLogP4.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide?
The IUPAC name of (2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide (CID 95807099) is (2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide.
What is the SMILES notation for (2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide?
The canonical SMILES for (2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide is C[C@H](C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21)n1ncc2ccccc2c1=O.
What is the InChIKey of (2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide?
The InChIKey is ZGBRRSWWBWOQIP-DYESRHJHSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17(28-24(30)19-10-4-3-9-18(19)16-26-28)23(29)27-21-15-25(13-7-2-8-14-25)31-22-12-6-5-11-20(21)22/h3-6,9-12,16-17,21H,2,7-8,13-15H2,1H3,(H,27,29)/t17-,21-/m1/s1.
What are the key properties of (2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide?
(2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-oxophthalazin-2-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]propanamide is sourced from PubChem (CID 95807099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).