1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea

C17H26N2O3 — CID 139009347

IUPAC1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea
SMILESCc1ccoc1CNC(=O)NC1CCC2(CCOCC2)CC1
InChIInChI=1S/C17H26N2O3/c1-13-4-9-22-15(13)12-18-16(20)19-14-2-5-17(6-3-14)7-10-21-11-8-17/h4,9,14H,2-3,5-8,10-12H2,1H3,(H2,18,19,20)
InChIKeyCMLSGMKTCNHCIM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.13
Rot. Bonds3

About 1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea

1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea (PubChem CID 139009347) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea.

Molecular Properties

Compound Name1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea
PubChem CID139009347
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea
SMILESCc1ccoc1CNC(=O)NC1CCC2(CCOCC2)CC1
InChIInChI=1S/C17H26N2O3/c1-13-4-9-22-15(13)12-18-16(20)19-14-2-5-17(6-3-14)7-10-21-11-8-17/h4,9,14H,2-3,5-8,10-12H2,1H3,(H2,18,19,20)
InChIKeyCMLSGMKTCNHCIM-UHFFFAOYSA-N
XLogP3.13
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742048
(2R)-2-amino-N-(3-oxaspiro[5.5]undecan-9-yl)propanamide
CID 119344557
3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide
CID 130597720
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
(3-methylfuran-2-yl)methylthiourea
CID 130597728
N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 167752932
1-cyclopropyl-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 90604890
N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 138049695
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
1-(oxan-4-yl)-3-(4-phenylbutyl)urea
CID 118398503
(3S,4S)-3-cyclopentyl-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]piperidine-1-carboxamide
CID 164637886
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea?
The IUPAC name of 1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea (CID 139009347) is 1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea.
What is the SMILES notation for 1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea?
The canonical SMILES for 1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea is Cc1ccoc1CNC(=O)NC1CCC2(CCOCC2)CC1.
What is the InChIKey of 1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea?
The InChIKey is CMLSGMKTCNHCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-4-9-22-15(13)12-18-16(20)19-14-2-5-17(6-3-14)7-10-21-11-8-17/h4,9,14H,2-3,5-8,10-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea?
1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea has a molecular weight of 306.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylfuran-2-yl)methyl]-3-(3-oxaspiro[5.5]undecan-9-yl)urea is sourced from PubChem (CID 139009347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).