1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea

C12H18N2O2 — CID 47172133

IUPAC1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NCC1CCCC1
InChIInChI=1S/C12H18N2O2/c15-12(13-8-10-4-1-2-5-10)14-9-11-6-3-7-16-11/h3,6-7,10H,1-2,4-5,8-9H2,(H2,13,14,15)
InChIKeyIVEMYSZZFGNAAL-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.27
Rot. Bonds4

About 1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea

1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea (PubChem CID 47172133) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
PubChem CID47172133
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)NCC1CCCC1
InChIInChI=1S/C12H18N2O2/c15-12(13-8-10-4-1-2-5-10)14-9-11-6-3-7-16-11/h3,6-7,10H,1-2,4-5,8-9H2,(H2,13,14,15)
InChIKeyIVEMYSZZFGNAAL-UHFFFAOYSA-N
XLogP2.27
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525527
1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235917
1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235911
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717562
N-(cyclohexylmethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780967
1-(furan-2-ylmethyl)-3-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95149324
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(furan-2-ylmethyl)urea
CID 86769507
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea (CID 47172133) is 1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea is O=C(NCc1ccco1)NCC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea?
The InChIKey is IVEMYSZZFGNAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(13-8-10-4-1-2-5-10)14-9-11-6-3-7-16-11/h3,6-7,10H,1-2,4-5,8-9H2,(H2,13,14,15).
What are the key properties of 1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea?
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea has a molecular weight of 222.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 47172133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).