1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea

C22H26N2O3 — CID 100746880

IUPAC1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
SMILESCOc1ccccc1NC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C22H26N2O3/c1-26-20-12-6-4-10-17(20)23-21(25)24-18-15-22(13-7-2-8-14-22)27-19-11-5-3-9-16(18)19/h3-6,9-12,18H,2,7-8,13-15H2,1H3,(H2,23,24,25)/t18-/m1/s1
InChIKeyXMZKZKRNKBNFIO-GOSISDBHSA-N
MW366.46 g/mol
LogP5.04
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea

1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea (PubChem CID 100746880) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
PubChem CID100746880
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
SMILESCOc1ccccc1NC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C22H26N2O3/c1-26-20-12-6-4-10-17(20)23-21(25)24-18-15-22(13-7-2-8-14-22)27-19-11-5-3-9-16(18)19/h3-6,9-12,18H,2,7-8,13-15H2,1H3,(H2,23,24,25)/t18-/m1/s1
InChIKeyXMZKZKRNKBNFIO-GOSISDBHSA-N
XLogP5.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea with MolForge

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Related Compounds

1-(2-methoxyphenyl)-3-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]urea
CID 40743676
1-(6-methoxypyrimidin-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea
CID 127815177
1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea
CID 124621687
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 71915122
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115
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
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea
CID 127675571

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea (CID 100746880) is 1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea is COc1ccccc1NC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea?
The InChIKey is XMZKZKRNKBNFIO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-20-12-6-4-10-17(20)23-21(25)24-18-15-22(13-7-2-8-14-22)27-19-11-5-3-9-16(18)19/h3-6,9-12,18H,2,7-8,13-15H2,1H3,(H2,23,24,25)/t18-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea?
1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea has a molecular weight of 366.46 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea is sourced from PubChem (CID 100746880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).