1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea

C15H18N2O4 — CID 97185684

IUPAC1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@@H](CO)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H18N2O4/c1-20-12-6-4-11(5-7-12)14(10-18)17-15(19)16-9-13-3-2-8-21-13/h2-8,14,18H,9-10H2,1H3,(H2,16,17,19)/t14-/m1/s1
InChIKeyHYEVSRXCJITLDR-CQSZACIVSA-N
MW290.32 g/mol
LogP1.82
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea

1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea (PubChem CID 97185684) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
PubChem CID97185684
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@@H](CO)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H18N2O4/c1-20-12-6-4-11(5-7-12)14(10-18)17-15(19)16-9-13-3-2-8-21-13/h2-8,14,18H,9-10H2,1H3,(H2,16,17,19)/t14-/m1/s1
InChIKeyHYEVSRXCJITLDR-CQSZACIVSA-N
XLogP1.82
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
CID 124596181
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(furan-2-ylmethyl)urea
CID 134056891
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 124878229
N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255406
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
CID 7082801
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)propanamide
CID 110296570
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 51684466

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea (CID 97185684) is 1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea is COc1ccc([C@@H](CO)NC(=O)NCc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is HYEVSRXCJITLDR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-12-6-4-11(5-7-12)14(10-18)17-15(19)16-9-13-3-2-8-21-13/h2-8,14,18H,9-10H2,1H3,(H2,16,17,19)/t14-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea?
1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 290.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 97185684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).