1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea

C20H28N2O3 — CID 97235602

IUPAC1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
SMILESO=C(N[C@@H]1CCOC2(CCCCC2)C1)N[C@H]1CCc2c(O)cccc21
InChIInChI=1S/C20H28N2O3/c23-18-6-4-5-15-16(18)7-8-17(15)22-19(24)21-14-9-12-25-20(13-14)10-2-1-3-11-20/h4-6,14,17,23H,1-3,7-13H2,(H2,21,22,24)/t14-,17+/m1/s1
InChIKeyKOXFOJUXDNKHSX-PBHICJAKSA-N
MW344.46 g/mol
LogP3.56
Rot. Bonds2

About 1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea

1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea (PubChem CID 97235602) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea.

Molecular Properties

Compound Name1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
PubChem CID97235602
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
SMILESO=C(N[C@@H]1CCOC2(CCCCC2)C1)N[C@H]1CCc2c(O)cccc21
InChIInChI=1S/C20H28N2O3/c23-18-6-4-5-15-16(18)7-8-17(15)22-19(24)21-14-9-12-25-20(13-14)10-2-1-3-11-20/h4-6,14,17,23H,1-3,7-13H2,(H2,21,22,24)/t14-,17+/m1/s1
InChIKeyKOXFOJUXDNKHSX-PBHICJAKSA-N
XLogP3.56
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86770976
1-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,5S,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 97242798
1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 95626540
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
trans-(1S,2S)-2-(2,3-difluorophenyl)-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97076593
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97077216
1-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-3-(3-phenylprop-2-ynyl)urea
CID 97235497
1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 83035861
1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124617715
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86769678
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea?
The IUPAC name of 1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea (CID 97235602) is 1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea.
What is the SMILES notation for 1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea?
The canonical SMILES for 1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea is O=C(N[C@@H]1CCOC2(CCCCC2)C1)N[C@H]1CCc2c(O)cccc21.
What is the InChIKey of 1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea?
The InChIKey is KOXFOJUXDNKHSX-PBHICJAKSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-18-6-4-5-15-16(18)7-8-17(15)22-19(24)21-14-9-12-25-20(13-14)10-2-1-3-11-20/h4-6,14,17,23H,1-3,7-13H2,(H2,21,22,24)/t14-,17+/m1/s1.
What are the key properties of 1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea?
1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea has a molecular weight of 344.46 g/mol, XLogP of 3.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea is sourced from PubChem (CID 97235602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).