1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea

C19H25N3O3 — CID 95146032

IUPAC1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
SMILESC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1cccc(O)c1
InChIInChI=1S/C19H25N3O3/c1-14(15-6-4-7-16(23)12-15)21-19(24)20-13-17(18-8-5-11-25-18)22-9-2-3-10-22/h4-8,11-12,14,17,23H,2-3,9-10,13H2,1H3,(H2,20,21,24)/t14-,17+/m0/s1
InChIKeyWGLYNNBWXUDYFS-WMLDXEAASA-N
MW343.43 g/mol
LogP3.18
Rot. Bonds6

About 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea

1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea (PubChem CID 95146032) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
PubChem CID95146032
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
SMILESC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1cccc(O)c1
InChIInChI=1S/C19H25N3O3/c1-14(15-6-4-7-16(23)12-15)21-19(24)20-13-17(18-8-5-11-25-18)22-9-2-3-10-22/h4-8,11-12,14,17,23H,2-3,9-10,13H2,1H3,(H2,20,21,24)/t14-,17+/m0/s1
InChIKeyWGLYNNBWXUDYFS-WMLDXEAASA-N
XLogP3.18
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea with MolForge

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Related Compounds

1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea
CID 95146031
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94153994
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97089880
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
2-(furan-2-yl)-N-[1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 112831610
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 52503052
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
CID 110312900
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[3-(methoxymethyl)phenyl]urea
CID 86988689
(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 40613576

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea (CID 95146032) is 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea is C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1cccc(O)c1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is WGLYNNBWXUDYFS-WMLDXEAASA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(15-6-4-7-16(23)12-15)21-19(24)20-13-17(18-8-5-11-25-18)22-9-2-3-10-22/h4-8,11-12,14,17,23H,2-3,9-10,13H2,1H3,(H2,20,21,24)/t14-,17+/m0/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 343.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 95146032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).