1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea

C19H26N2O3 — CID 97223973

IUPAC1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
SMILESO=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N[C@H](CCO)C1CC1
InChIInChI=1S/C19H26N2O3/c22-11-8-15(13-6-7-13)20-18(23)21-16-12-19(9-3-10-19)24-17-5-2-1-4-14(16)17/h1-2,4-5,13,15-16,22H,3,6-12H2,(H2,20,21,23)/t15-,16-/m1/s1
InChIKeyBZUZKFWFLHEYHB-HZPDHXFCSA-N
MW330.43 g/mol
LogP2.89
Rot. Bonds5

About 1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea

1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea (PubChem CID 97223973) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
PubChem CID97223973
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
SMILESO=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N[C@H](CCO)C1CC1
InChIInChI=1S/C19H26N2O3/c22-11-8-15(13-6-7-13)20-18(23)21-16-12-19(9-3-10-19)24-17-5-2-1-4-14(16)17/h1-2,4-5,13,15-16,22H,3,6-12H2,(H2,20,21,23)/t15-,16-/m1/s1
InChIKeyBZUZKFWFLHEYHB-HZPDHXFCSA-N
XLogP2.89
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97223623
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-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea
CID 97227745
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 75379330
1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97088082
1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 71920773
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 71915122
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea?
The IUPAC name of 1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea (CID 97223973) is 1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea.
What is the SMILES notation for 1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea?
The canonical SMILES for 1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea is O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)N[C@H](CCO)C1CC1.
What is the InChIKey of 1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea?
The InChIKey is BZUZKFWFLHEYHB-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-11-8-15(13-6-7-13)20-18(23)21-16-12-19(9-3-10-19)24-17-5-2-1-4-14(16)17/h1-2,4-5,13,15-16,22H,3,6-12H2,(H2,20,21,23)/t15-,16-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea?
1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea has a molecular weight of 330.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclopropyl-3-hydroxypropyl]-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]urea is sourced from PubChem (CID 97223973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).