1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea

C15H22N2O3 — CID 47236984

IUPAC1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1ccc(CN(C(=O)NCC2CCCO2)C2CC2)o1
InChIInChI=1S/C15H22N2O3/c1-11-4-7-14(20-11)10-17(12-5-6-12)15(18)16-9-13-3-2-8-19-13/h4,7,12-13H,2-3,5-6,8-10H2,1H3,(H,16,18)
InChIKeyYCDCBGSOBSPDPQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.44
Rot. Bonds5

About 1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea

1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 47236984) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID47236984
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1ccc(CN(C(=O)NCC2CCCO2)C2CC2)o1
InChIInChI=1S/C15H22N2O3/c1-11-4-7-14(20-11)10-17(12-5-6-12)15(18)16-9-13-3-2-8-19-13/h4,7,12-13H,2-3,5-6,8-10H2,1H3,(H,16,18)
InChIKeyYCDCBGSOBSPDPQ-UHFFFAOYSA-N
XLogP2.44
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(Furan-2-yl)methyl]urea
CID 587724
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
N1-(2-Furylmethyl)-2,6-dimethylpiperidine-1-carbothioamide
CID 2725444
1-(Furan-2-carbonyl)imidazolidin-2-one
CID 1266917
Propanedinitrile, (((2-(((5-((bis(1-methylethyl)amino)methyl)-2-furanyl)methyl)amino)ethyl)amino)(methylamino)methylene)-
CID 3077648
2-cyano-N-((furan-2-yl)methyl)acetamide
CID 304848
N-[(5-methyl-2-furyl)methyl]ethanamine
CID 4777647
N-[1-(ethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide
CID 3218525
N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]furan-2-carboxamide
CID 3218548
N-(furan-2-ylmethyl)-2-methylpiperidine-1-carbothioamide
CID 3969440
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 4790928
1-Furan-2-ylmethyl-3-[6-(3-furan-2-ylmethyl-ureido)-hexyl]-urea
CID 329036

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea (CID 47236984) is 1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea is Cc1ccc(CN(C(=O)NCC2CCCO2)C2CC2)o1.
What is the InChIKey of 1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is YCDCBGSOBSPDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-4-7-14(20-11)10-17(12-5-6-12)15(18)16-9-13-3-2-8-19-13/h4,7,12-13H,2-3,5-6,8-10H2,1H3,(H,16,18).
What are the key properties of 1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea?
1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 47236984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).