1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea

C18H25N3O3 — CID 97225262

IUPAC1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea
SMILESCC(C)[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)c1ccccn1
InChIInChI=1S/C18H25N3O3/c1-12(2)17(14-7-4-5-9-19-14)21-18(23)20-13(3)11-15(22)16-8-6-10-24-16/h4-10,12-13,15,17,22H,11H2,1-3H3,(H2,20,21,23)/t13-,15+,17+/m1/s1
InChIKeyOXFMBWRSLWEVFB-KMFMINBZSA-N
MW331.42 g/mol
LogP3.18
Rot. Bonds7

About 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea

1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea (PubChem CID 97225262) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea.

Molecular Properties

Compound Name1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea
PubChem CID97225262
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea
SMILESCC(C)[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)c1ccccn1
InChIInChI=1S/C18H25N3O3/c1-12(2)17(14-7-4-5-9-19-14)21-18(23)20-13(3)11-15(22)16-8-6-10-24-16/h4-10,12-13,15,17,22H,11H2,1-3H3,(H2,20,21,23)/t13-,15+,17+/m1/s1
InChIKeyOXFMBWRSLWEVFB-KMFMINBZSA-N
XLogP3.18
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 97225250
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]urea
CID 97320817
(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide
CID 99589419
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97096557
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 75379962
1-(1,3-benzothiazol-2-ylmethyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225104
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 97085728
1-(1,3-benzothiazol-2-yl)-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97224822
(1S,3R)-1-(furan-2-yl)-3-[(4-methyl-2-pyridinyl)amino]butan-1-ol
CID 100666938
1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 97066307
1-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 97225076
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea?
The IUPAC name of 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea (CID 97225262) is 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea.
What is the SMILES notation for 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea?
The canonical SMILES for 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea is CC(C)[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)c1ccccn1.
What is the InChIKey of 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea?
The InChIKey is OXFMBWRSLWEVFB-KMFMINBZSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)17(14-7-4-5-9-19-14)21-18(23)20-13(3)11-15(22)16-8-6-10-24-16/h4-10,12-13,15,17,22H,11H2,1-3H3,(H2,20,21,23)/t13-,15+,17+/m1/s1.
What are the key properties of 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea?
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea has a molecular weight of 331.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea is sourced from PubChem (CID 97225262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).