1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

C15H24N2O3 — CID 111504087

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NC2CCCC2(C)CO)o1
InChIInChI=1S/C15H24N2O3/c1-10-6-7-12(20-10)11(2)16-14(19)17-13-5-4-8-15(13,3)9-18/h6-7,11,13,18H,4-5,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyQBBHSISLRLRXKS-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.50
Rot. Bonds4

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 111504087) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID111504087
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NC2CCCC2(C)CO)o1
InChIInChI=1S/C15H24N2O3/c1-10-6-7-12(20-10)11(2)16-14(19)17-13-5-4-8-15(13,3)9-18/h6-7,11,13,18H,4-5,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyQBBHSISLRLRXKS-UHFFFAOYSA-N
XLogP2.50
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111506132
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 111473573
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504848
1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026796
1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111470878
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412663
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylcyclopropyl)urea
CID 111505299

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (CID 111504087) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is Cc1ccc(C(C)NC(=O)NC2CCCC2(C)CO)o1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is QBBHSISLRLRXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-6-7-12(20-10)11(2)16-14(19)17-13-5-4-8-15(13,3)9-18/h6-7,11,13,18H,4-5,8-9H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 111504087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).