2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide

C25H30N2O3 — CID 131931836

IUPAC2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide
SMILESO=C(NC1CC2(CCCCC2)Oc2ccccc21)c1ccccc1N1CCOCC1
InChIInChI=1S/C25H30N2O3/c28-24(20-9-2-4-10-22(20)27-14-16-29-17-15-27)26-21-18-25(12-6-1-7-13-25)30-23-11-5-3-8-19(21)23/h2-5,8-11,21H,1,6-7,12-18H2,(H,26,28)
InChIKeyLLJANXPJJLJGRW-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.48
Rot. Bonds3

About 2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide

2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide (PubChem CID 131931836) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide
PubChem CID131931836
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide
SMILESO=C(NC1CC2(CCCCC2)Oc2ccccc21)c1ccccc1N1CCOCC1
InChIInChI=1S/C25H30N2O3/c28-24(20-9-2-4-10-22(20)27-14-16-29-17-15-27)26-21-18-25(12-6-1-7-13-25)30-23-11-5-3-8-19(21)23/h2-5,8-11,21H,1,6-7,12-18H2,(H,26,28)
InChIKeyLLJANXPJJLJGRW-UHFFFAOYSA-N
XLogP4.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
CID 125165608
1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide
CID 118780791
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
CID 99934057
4-hydroxy-6-oxo-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]-1H-pyridine-3-carboxamide
CID 125157024
2-(3-oxomorpholin-4-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 124889807
N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
CID 91766122
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide
CID 133112648
(2R)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]oxolane-2-carboxamide
CID 51494028

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide?
The IUPAC name of 2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide (CID 131931836) is 2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide.
What is the SMILES notation for 2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide?
The canonical SMILES for 2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide is O=C(NC1CC2(CCCCC2)Oc2ccccc21)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide?
The InChIKey is LLJANXPJJLJGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-24(20-9-2-4-10-22(20)27-14-16-29-17-15-27)26-21-18-25(12-6-1-7-13-25)30-23-11-5-3-8-19(21)23/h2-5,8-11,21H,1,6-7,12-18H2,(H,26,28).
What are the key properties of 2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide?
2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide has a molecular weight of 406.53 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide is sourced from PubChem (CID 131931836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).