1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea

C15H24N2O5 — CID 95158318

IUPAC1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC[C@@H](O)COCc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O5/c1-20-8-7-16-15(19)17-9-13(18)11-22-10-12-3-5-14(21-2)6-4-12/h3-6,13,18H,7-11H2,1-2H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyFFJXOYOOMSGFAX-CYBMUJFWSA-N
MW312.37 g/mol
LogP0.52
Rot. Bonds10

About 1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea

1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea (PubChem CID 95158318) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea
PubChem CID95158318
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC[C@@H](O)COCc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O5/c1-20-8-7-16-15(19)17-9-13(18)11-22-10-12-3-5-14(21-2)6-4-12/h3-6,13,18H,7-11H2,1-2H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyFFJXOYOOMSGFAX-CYBMUJFWSA-N
XLogP0.52
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methylphenyl)acetamide
CID 94814604
4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
CID 95344832
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
CID 51126519
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide
CID 51094307
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94813443
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(1R)-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohex-3-ene-1-carboxamide
CID 94822861
3-(furan-2-yl)-N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]propanamide
CID 94809545
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea (CID 95158318) is 1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NC[C@@H](O)COCc1ccc(OC)cc1.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea?
The InChIKey is FFJXOYOOMSGFAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-20-8-7-16-15(19)17-9-13(18)11-22-10-12-3-5-14(21-2)6-4-12/h3-6,13,18H,7-11H2,1-2H3,(H2,16,17,19)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea?
1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea has a molecular weight of 312.37 g/mol, XLogP of 0.52, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 95158318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).