1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea

C15H25N3O3 — CID 110896232

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea
SMILESO=C(NCCCCN1CCCC1)NCC(O)c1ccco1
InChIInChI=1S/C15H25N3O3/c19-13(14-6-5-11-21-14)12-17-15(20)16-7-1-2-8-18-9-3-4-10-18/h5-6,11,13,19H,1-4,7-10,12H2,(H2,16,17,20)
InChIKeyIYHDYBDUFAZGRH-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.49
Rot. Bonds8

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea (PubChem CID 110896232) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea
PubChem CID110896232
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea
SMILESO=C(NCCCCN1CCCC1)NCC(O)c1ccco1
InChIInChI=1S/C15H25N3O3/c19-13(14-6-5-11-21-14)12-17-15(20)16-7-1-2-8-18-9-3-4-10-18/h5-6,11,13,19H,1-4,7-10,12H2,(H2,16,17,20)
InChIKeyIYHDYBDUFAZGRH-UHFFFAOYSA-N
XLogP1.49
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110893601
1-[2-(azepan-1-yl)-3-methylbutyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110895654
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 55738952
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea
CID 111619159
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone
CID 113406015
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 110921907
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508987
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 94017524
1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 55769977

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea (CID 110896232) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea is O=C(NCCCCN1CCCC1)NCC(O)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea?
The InChIKey is IYHDYBDUFAZGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-13(14-6-5-11-21-14)12-17-15(20)16-7-1-2-8-18-9-3-4-10-18/h5-6,11,13,19H,1-4,7-10,12H2,(H2,16,17,20).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea has a molecular weight of 295.38 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea is sourced from PubChem (CID 110896232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).