1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea

C20H28N2O3 — CID 97055291

IUPAC1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESO=C(NC[C@H](O)COCC1CC1)NC[C@H]1C[C@@]12CCc1ccccc12
InChIInChI=1S/C20H28N2O3/c23-17(13-25-12-14-5-6-14)11-22-19(24)21-10-16-9-20(16)8-7-15-3-1-2-4-18(15)20/h1-4,14,16-17,23H,5-13H2,(H2,21,22,24)/t16-,17+,20+/m1/s1
InChIKeyUKZPPPIKHZHZCN-UWVAXJGDSA-N
MW344.46 g/mol
LogP1.98
Rot. Bonds8

About 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea

1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea (PubChem CID 97055291) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
PubChem CID97055291
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESO=C(NC[C@H](O)COCC1CC1)NC[C@H]1C[C@@]12CCc1ccccc12
InChIInChI=1S/C20H28N2O3/c23-17(13-25-12-14-5-6-14)11-22-19(24)21-10-16-9-20(16)8-7-15-3-1-2-4-18(15)20/h1-4,14,16-17,23H,5-13H2,(H2,21,22,24)/t16-,17+,20+/m1/s1
InChIKeyUKZPPPIKHZHZCN-UWVAXJGDSA-N
XLogP1.98
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(naphthalen-1-ylmethyl)urea
CID 110911378
N-[2-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methylcarbamoylamino]ethyl]cyclopropanecarboxamide
CID 97225874
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100579847
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 124841179
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226718
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226716
N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97051911
3-methyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]furan-2-carboxamide
CID 97051941
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 110911350
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea
CID 110911367
1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
CID 98850145

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The IUPAC name of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea (CID 97055291) is 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.
What is the SMILES notation for 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The canonical SMILES for 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is O=C(NC[C@H](O)COCC1CC1)NC[C@H]1C[C@@]12CCc1ccccc12.
What is the InChIKey of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The InChIKey is UKZPPPIKHZHZCN-UWVAXJGDSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-17(13-25-12-14-5-6-14)11-22-19(24)21-10-16-9-20(16)8-7-15-3-1-2-4-18(15)20/h1-4,14,16-17,23H,5-13H2,(H2,21,22,24)/t16-,17+,20+/m1/s1.
What are the key properties of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea has a molecular weight of 344.46 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is sourced from PubChem (CID 97055291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).