1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea

C15H25N3O3 — CID 111336996

IUPAC1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C15H25N3O3/c1-12(19)6-7-16-15(20)17-11-13(14-5-4-10-21-14)18-8-2-3-9-18/h4-5,10,12-13,19H,2-3,6-9,11H2,1H3,(H2,16,17,20)
InChIKeyUBIQSHCNWPICTN-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.49
Rot. Bonds7

About 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea (PubChem CID 111336996) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
PubChem CID111336996
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C15H25N3O3/c1-12(19)6-7-16-15(20)17-11-13(14-5-4-10-21-14)18-8-2-3-9-18/h4-5,10,12-13,19H,2-3,6-9,11H2,1H3,(H2,16,17,20)
InChIKeyUBIQSHCNWPICTN-UHFFFAOYSA-N
XLogP1.49
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

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-[2-(2-methoxyphenyl)ethyl]urea
CID 51291075
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94172073
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
1-[3-(cyclohexylamino)propyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 55769977
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-imidazol-1-ylethyl)urea
CID 95151616
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea (CID 111336996) is 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea?
The InChIKey is UBIQSHCNWPICTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-12(19)6-7-16-15(20)17-11-13(14-5-4-10-21-14)18-8-2-3-9-18/h4-5,10,12-13,19H,2-3,6-9,11H2,1H3,(H2,16,17,20).
What are the key properties of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea?
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea has a molecular weight of 295.38 g/mol, XLogP of 1.49, 7 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-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).