1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea

C18H24N2O4 — CID 97225190

IUPAC1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)N[C@@H](C)C[C@H](O)c2ccco2)cc1C
InChIInChI=1S/C18H24N2O4/c1-12-9-14(6-7-16(12)23-3)11-19-18(22)20-13(2)10-15(21)17-5-4-8-24-17/h4-9,13,15,21H,10-11H2,1-3H3,(H2,19,20,22)/t13-,15-/m0/s1
InChIKeyLCPXJRITQSJMAN-ZFWWWQNUSA-N
MW332.40 g/mol
LogP2.91
Rot. Bonds7

About 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea

1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea (PubChem CID 97225190) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
PubChem CID97225190
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)N[C@@H](C)C[C@H](O)c2ccco2)cc1C
InChIInChI=1S/C18H24N2O4/c1-12-9-14(6-7-16(12)23-3)11-19-18(22)20-13(2)10-15(21)17-5-4-8-24-17/h4-9,13,15,21H,10-11H2,1-3H3,(H2,19,20,22)/t13-,15-/m0/s1
InChIKeyLCPXJRITQSJMAN-ZFWWWQNUSA-N
XLogP2.91
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea with MolForge

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Related Compounds

1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 97066307
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 75379962
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111455101
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111505708
1-(3-hydroxy-4-methylpentyl)-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111505713
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
CID 110908541
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
4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide
CID 97328495
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-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 97072611
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The IUPAC name of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea (CID 97225190) is 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea is COc1ccc(CNC(=O)N[C@@H](C)C[C@H](O)c2ccco2)cc1C.
What is the InChIKey of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea?
The InChIKey is LCPXJRITQSJMAN-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-9-14(6-7-16(12)23-3)11-19-18(22)20-13(2)10-15(21)17-5-4-8-24-17/h4-9,13,15,21H,10-11H2,1-3H3,(H2,19,20,22)/t13-,15-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea?
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea has a molecular weight of 332.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea is sourced from PubChem (CID 97225190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).