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

C17H26N2O3 — CID 97309468

IUPAC1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
SMILESCC[C@H](CO)NC(=O)NC[C@H]1CCCc2cc(OC)ccc21
InChIInChI=1S/C17H26N2O3/c1-3-14(11-20)19-17(21)18-10-13-6-4-5-12-9-15(22-2)7-8-16(12)13/h7-9,13-14,20H,3-6,10-11H2,1-2H3,(H2,18,19,21)/t13-,14-/m1/s1
InChIKeyDDFDQYBLXXUPRC-ZIAGYGMSSA-N
MW306.41 g/mol
LogP2.19
Rot. Bonds6

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

1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea (PubChem CID 97309468) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
PubChem CID97309468
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
SMILESCC[C@H](CO)NC(=O)NC[C@H]1CCCc2cc(OC)ccc21
InChIInChI=1S/C17H26N2O3/c1-3-14(11-20)19-17(21)18-10-13-6-4-5-12-9-15(22-2)7-8-16(12)13/h7-9,13-14,20H,3-6,10-11H2,1-2H3,(H2,18,19,21)/t13-,14-/m1/s1
InChIKeyDDFDQYBLXXUPRC-ZIAGYGMSSA-N
XLogP2.19
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 99638268
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-[[(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-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550930
2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-N-propylpropanamide
CID 47072021
3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide
CID 75478677
N-[4-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]cyclohexyl]acetamide
CID 99635785
N-(1-hydroxy-2-methylpropan-2-yl)-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 110000682

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea?
The IUPAC name of 1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea (CID 97309468) is 1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea.
What is the SMILES notation for 1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea?
The canonical SMILES for 1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea is CC[C@H](CO)NC(=O)NC[C@H]1CCCc2cc(OC)ccc21.
What is the InChIKey of 1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea?
The InChIKey is DDFDQYBLXXUPRC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-14(11-20)19-17(21)18-10-13-6-4-5-12-9-15(22-2)7-8-16(12)13/h7-9,13-14,20H,3-6,10-11H2,1-2H3,(H2,18,19,21)/t13-,14-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea?
1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea has a molecular weight of 306.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea is sourced from PubChem (CID 97309468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).