1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea

C19H24N2O4 — CID 99638268

IUPAC1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
SMILESCOc1ccc2c(c1)CCC[C@@H]2CNC(=O)NC[C@@H](O)c1ccco1
InChIInChI=1S/C19H24N2O4/c1-24-15-7-8-16-13(10-15)4-2-5-14(16)11-20-19(23)21-12-17(22)18-6-3-9-25-18/h3,6-10,14,17,22H,2,4-5,11-12H2,1H3,(H2,20,21,23)/t14-,17-/m1/s1
InChIKeyYMEQVCLXHJPLEB-RHSMWYFYSA-N
MW344.41 g/mol
LogP2.74
Rot. Bonds6

About 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea

1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea (PubChem CID 99638268) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
PubChem CID99638268
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
SMILESCOc1ccc2c(c1)CCC[C@@H]2CNC(=O)NC[C@@H](O)c1ccco1
InChIInChI=1S/C19H24N2O4/c1-24-15-7-8-16-13(10-15)4-2-5-14(16)11-20-19(23)21-12-17(22)18-6-3-9-25-18/h3,6-10,14,17,22H,2,4-5,11-12H2,1H3,(H2,20,21,23)/t14-,17-/m1/s1
InChIKeyYMEQVCLXHJPLEB-RHSMWYFYSA-N
XLogP2.74
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylpropan-1-amine
CID 57256768
1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 97309468
1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98889556
1-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98889561
1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
CID 129379062
3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394
4-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]benzene-1,4-dicarboxamide
CID 91648652
4-N-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzene-1,4-dicarboxamide
CID 99640978
1-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550930
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111107167
N-[4-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]cyclohexyl]acetamide
CID 99635785
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea (CID 99638268) is 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea is COc1ccc2c(c1)CCC[C@@H]2CNC(=O)NC[C@@H](O)c1ccco1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea?
The InChIKey is YMEQVCLXHJPLEB-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-24-15-7-8-16-13(10-15)4-2-5-14(16)11-20-19(23)21-12-17(22)18-6-3-9-25-18/h3,6-10,14,17,22H,2,4-5,11-12H2,1H3,(H2,20,21,23)/t14-,17-/m1/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea?
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea has a molecular weight of 344.41 g/mol, XLogP of 2.74, 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-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea is sourced from PubChem (CID 99638268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).