1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea

C14H24N2O3 — CID 129347011

IUPAC1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea
SMILESCCN(C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-2-16(12-3-4-12)13(17)15-11-5-7-19-14(9-11)6-8-18-10-14/h11-12H,2-10H2,1H3,(H,15,17)/t11-,14-/m0/s1
InChIKeyBRWBJSSPJSSVAO-FZMZJTMJSA-N
MW268.36 g/mol
LogP1.52
Rot. Bonds3

About 1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea

1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea (PubChem CID 129347011) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea
PubChem CID129347011
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea
SMILESCCN(C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-2-16(12-3-4-12)13(17)15-11-5-7-19-14(9-11)6-8-18-10-14/h11-12H,2-10H2,1H3,(H,15,17)/t11-,14-/m0/s1
InChIKeyBRWBJSSPJSSVAO-FZMZJTMJSA-N
XLogP1.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea with MolForge

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Related Compounds

1-butyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)urea
CID 86769827
1-cyclopropyl-1-ethyl-3-(oxolan-3-yl)urea
CID 115760678
N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide
CID 79902853
N'-cyclopentyl-N-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-methylethane-1,2-diamine
CID 79903270
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
CID 79903932
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethylethane-1,2-diamine
CID 79898387
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
CID 79893907
1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 138022973
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
1-cyclopropyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 97235728

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea?
The IUPAC name of 1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea (CID 129347011) is 1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea.
What is the SMILES notation for 1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea?
The canonical SMILES for 1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea is CCN(C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea?
The InChIKey is BRWBJSSPJSSVAO-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-16(12-3-4-12)13(17)15-11-5-7-19-14(9-11)6-8-18-10-14/h11-12H,2-10H2,1H3,(H,15,17)/t11-,14-/m0/s1.
What are the key properties of 1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea?
1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea has a molecular weight of 268.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea is sourced from PubChem (CID 129347011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).