1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea

C15H24N2O4 — CID 95635554

IUPAC1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
SMILESCOc1cc(NC(=O)NC[C@H](C)C[C@@H](C)O)cc(OC)c1
InChIInChI=1S/C15H24N2O4/c1-10(5-11(2)18)9-16-15(19)17-12-6-13(20-3)8-14(7-12)21-4/h6-8,10-11,18H,5,9H2,1-4H3,(H2,16,17,19)/t10-,11-/m1/s1
InChIKeyKMLRVGLRCPSKPY-GHMZBOCLSA-N
MW296.37 g/mol
LogP2.23
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea

1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea (PubChem CID 95635554) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
PubChem CID95635554
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
SMILESCOc1cc(NC(=O)NC[C@H](C)C[C@@H](C)O)cc(OC)c1
InChIInChI=1S/C15H24N2O4/c1-10(5-11(2)18)9-16-15(19)17-12-6-13(20-3)8-14(7-12)21-4/h6-8,10-11,18H,5,9H2,1-4H3,(H2,16,17,19)/t10-,11-/m1/s1
InChIKeyKMLRVGLRCPSKPY-GHMZBOCLSA-N
XLogP2.23
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromo-5-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82860456
1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea
CID 111453401
1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
CID 111444676
1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452989
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452821
1-[3-(difluoromethyl)phenyl]-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95981533
1-(3,5-dimethoxyphenyl)-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798422
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 97106081
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
1-butyl-3-(3,5-dimethoxyphenyl)urea
CID 47103671
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea (CID 95635554) is 1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea is COc1cc(NC(=O)NC[C@H](C)C[C@@H](C)O)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea?
The InChIKey is KMLRVGLRCPSKPY-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(5-11(2)18)9-16-15(19)17-12-6-13(20-3)8-14(7-12)21-4/h6-8,10-11,18H,5,9H2,1-4H3,(H2,16,17,19)/t10-,11-/m1/s1.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea?
1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea has a molecular weight of 296.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea is sourced from PubChem (CID 95635554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).