1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea

C17H30N2O3 — CID 97235034

IUPAC1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
SMILESC[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)C1CCOCC1
InChIInChI=1S/C17H30N2O3/c1-13(14-4-9-21-10-5-14)18-16(20)19-15-6-11-22-17(12-15)7-2-3-8-17/h13-15H,2-12H2,1H3,(H2,18,19,20)/t13-,15-/m0/s1
InChIKeyBFKAHWKQDJLVGB-ZFWWWQNUSA-N
MW310.44 g/mol
LogP2.59
Rot. Bonds3

About 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea

1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea (PubChem CID 97235034) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
PubChem CID97235034
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
SMILESC[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)C1CCOCC1
InChIInChI=1S/C17H30N2O3/c1-13(14-4-9-21-10-5-14)18-16(20)19-15-6-11-22-17(12-15)7-2-3-8-17/h13-15H,2-12H2,1H3,(H2,18,19,20)/t13-,15-/m0/s1
InChIKeyBFKAHWKQDJLVGB-ZFWWWQNUSA-N
XLogP2.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea with MolForge

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Related Compounds

N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452
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
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,9-dioxaspiro[5.5]undecan-4-yl)urea
CID 128676663
1-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124888728
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-[(1R)-1-pyridin-4-ylpropyl]urea
CID 97235585
1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea
CID 97227726
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
5-oxaspiro[3.5]nonan-8-ylurea
CID 131086736

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The IUPAC name of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea (CID 97235034) is 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea.
What is the SMILES notation for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The canonical SMILES for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea is C[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)C1CCOCC1.
What is the InChIKey of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The InChIKey is BFKAHWKQDJLVGB-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13(14-4-9-21-10-5-14)18-16(20)19-15-6-11-22-17(12-15)7-2-3-8-17/h13-15H,2-12H2,1H3,(H2,18,19,20)/t13-,15-/m0/s1.
What are the key properties of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea has a molecular weight of 310.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea is sourced from PubChem (CID 97235034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).