1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea

C19H26N2O3 — CID 75379330

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
SMILESCN(CC(O)C1CC1)C(=O)NC1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C19H26N2O3/c1-21(12-16(22)13-7-8-13)18(23)20-15-11-19(9-4-10-19)24-17-6-3-2-5-14(15)17/h2-3,5-6,13,15-16,22H,4,7-12H2,1H3,(H,20,23)
InChIKeyCBMLYDYKDZHMRU-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea (PubChem CID 75379330) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
PubChem CID75379330
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
SMILESCN(CC(O)C1CC1)C(=O)NC1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C19H26N2O3/c1-21(12-16(22)13-7-8-13)18(23)20-15-11-19(9-4-10-19)24-17-6-3-2-5-14(15)17/h2-3,5-6,13,15-16,22H,4,7-12H2,1H3,(H,20,23)
InChIKeyCBMLYDYKDZHMRU-UHFFFAOYSA-N
XLogP2.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97223973
1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 71920773
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea
CID 131945765
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
(2R)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]oxolane-2-carboxamide
CID 51494028
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide
CID 46958893
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115
1-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97227745
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
CID 71920585

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea (CID 75379330) is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea is CN(CC(O)C1CC1)C(=O)NC1CC2(CCC2)Oc2ccccc21.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
The InChIKey is CBMLYDYKDZHMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-21(12-16(22)13-7-8-13)18(23)20-15-11-19(9-4-10-19)24-17-6-3-2-5-14(15)17/h2-3,5-6,13,15-16,22H,4,7-12H2,1H3,(H,20,23).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea?
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea has a molecular weight of 330.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea is sourced from PubChem (CID 75379330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).