1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C15H24N2O3 — CID 110893601

IUPAC1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCCCC1CCCC1)NCC(O)c1ccco1
InChIInChI=1S/C15H24N2O3/c18-13(14-8-4-10-20-14)11-17-15(19)16-9-3-7-12-5-1-2-6-12/h4,8,10,12-13,18H,1-3,5-7,9,11H2,(H2,16,17,19)
InChIKeyYOHDEMQEBQJZST-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.58
Rot. Bonds7

About 1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 110893601) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID110893601
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCCCC1CCCC1)NCC(O)c1ccco1
InChIInChI=1S/C15H24N2O3/c18-13(14-8-4-10-20-14)11-17-15(19)16-9-3-7-12-5-1-2-6-12/h4,8,10,12-13,18H,1-3,5-7,9,11H2,(H2,16,17,19)
InChIKeyYOHDEMQEBQJZST-UHFFFAOYSA-N
XLogP2.58
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110896232
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea
CID 110904027
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 110921907
cis-(1S,2R)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 98793149
trans-(1R,2R)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 98793148
(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
1-[cyclopentyl(phenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110901396
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873
4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide
CID 90523741
N-[2-(furan-2-yl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 110889373
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea
CID 111619159

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 110893601) is 1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is O=C(NCCCC1CCCC1)NCC(O)c1ccco1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is YOHDEMQEBQJZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-13(14-8-4-10-20-14)11-17-15(19)16-9-3-7-12-5-1-2-6-12/h4,8,10,12-13,18H,1-3,5-7,9,11H2,(H2,16,17,19).
What are the key properties of 1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 110893601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).