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

C15H20N2O4 — CID 97066307

IUPAC1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CNC(=O)N[C@H](C)C[C@@H](O)c1ccco1
InChIInChI=1S/C15H20N2O4/c1-10(8-13(18)14-4-3-6-21-14)17-15(19)16-9-12-5-7-20-11(12)2/h3-7,10,13,18H,8-9H2,1-2H3,(H2,16,17,19)/t10-,13-/m1/s1
InChIKeySZMWRNUUYKAKPP-ZWNOBZJWSA-N
MW292.34 g/mol
LogP2.49
Rot. Bonds6

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

1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea (PubChem CID 97066307) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea
PubChem CID97066307
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CNC(=O)N[C@H](C)C[C@@H](O)c1ccco1
InChIInChI=1S/C15H20N2O4/c1-10(8-13(18)14-4-3-6-21-14)17-15(19)16-9-12-5-7-20-11(12)2/h3-7,10,13,18H,8-9H2,1-2H3,(H2,16,17,19)/t10-,13-/m1/s1
InChIKeySZMWRNUUYKAKPP-ZWNOBZJWSA-N
XLogP2.49
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea with MolForge

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Related Compounds

1-[(3-ethylthiophen-2-yl)methyl]-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225359
1-[(3-ethylthiophen-2-yl)methyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225360
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 97225190
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 97072611
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-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]urea
CID 97320817
1-(1,3-benzothiazol-2-ylmethyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225104
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 75379962
1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 60569703
1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 96530805
1-[1-(3,5-dimethylphenyl)propan-2-yl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508471
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 124840427

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea?
The IUPAC name of 1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea (CID 97066307) is 1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea.
What is the SMILES notation for 1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea?
The canonical SMILES for 1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea is Cc1occc1CNC(=O)N[C@H](C)C[C@@H](O)c1ccco1.
What is the InChIKey of 1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea?
The InChIKey is SZMWRNUUYKAKPP-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(8-13(18)14-4-3-6-21-14)17-15(19)16-9-12-5-7-20-11(12)2/h3-7,10,13,18H,8-9H2,1-2H3,(H2,16,17,19)/t10-,13-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea?
1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea has a molecular weight of 292.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea is sourced from PubChem (CID 97066307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).