3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea

C18H26N2O3 — CID 94653061

IUPAC3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(NC(C1CC1)C1CC1)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C18H26N2O3/c21-18(19-17(13-5-6-13)14-7-8-14)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h1,3,9,13-14,16-17H,2,4-8,10-12H2,(H,19,21)/t16-/m0/s1
InChIKeyUPEYSVRPIUOJLF-INIZCTEOSA-N
MW318.42 g/mol
LogP3.16
Rot. Bonds7

About 3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea

3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 94653061) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID94653061
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(NC(C1CC1)C1CC1)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C18H26N2O3/c21-18(19-17(13-5-6-13)14-7-8-14)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h1,3,9,13-14,16-17H,2,4-8,10-12H2,(H,19,21)/t16-/m0/s1
InChIKeyUPEYSVRPIUOJLF-INIZCTEOSA-N
XLogP3.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
(1R,5S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97236897
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 98873470
3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94652128
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038
1-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94594071
3-(2,5-dibromophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577447
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 42773317
3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 71917753
3-[(2R)-1-(furan-2-yl)propan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 51959921

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 94653061) is 3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea is O=C(NC(C1CC1)C1CC1)N(Cc1ccco1)C[C@@H]1CCCO1.
What is the InChIKey of 3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is UPEYSVRPIUOJLF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-18(19-17(13-5-6-13)14-7-8-14)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h1,3,9,13-14,16-17H,2,4-8,10-12H2,(H,19,21)/t16-/m0/s1.
What are the key properties of 3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea?
3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 318.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 94653061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).