1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea

C22H32N4O6 — CID 158065608

IUPAC1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea
SMILESCCCNC(=O)N(O)c1ccccc1OC.COc1ccccc1N(O)C(=O)NC(C)C
InChIInChI=1S/2C11H16N2O3/c1-8(2)12-11(14)13(15)9-6-4-5-7-10(9)16-3;1-3-8-12-11(14)13(15)9-6-4-5-7-10(9)16-2/h4-8,15H,1-3H3,(H,12,14);4-7,15H,3,8H2,1-2H3,(H,12,14)
InChIKeyFLEMLIVHRNMRSL-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.02
Rot. Bonds7

About 1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea

1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea (PubChem CID 158065608) has the molecular formula C22H32N4O6 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea.

Molecular Properties

Compound Name1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea
PubChem CID158065608
Molecular FormulaC22H32N4O6
Molecular Weight448.52 g/mol
Exact Mass448.23
IUPAC Name1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea
SMILESCCCNC(=O)N(O)c1ccccc1OC.COc1ccccc1N(O)C(=O)NC(C)C
InChIInChI=1S/2C11H16N2O3/c1-8(2)12-11(14)13(15)9-6-4-5-7-10(9)16-3;1-3-8-12-11(14)13(15)9-6-4-5-7-10(9)16-2/h4-8,15H,1-3H3,(H,12,14);4-7,15H,3,8H2,1-2H3,(H,12,14)
InChIKeyFLEMLIVHRNMRSL-UHFFFAOYSA-N
XLogP4.02
TPSA123.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
2-[1-(2-methoxyphenyl)propan-2-ylamino]-N-propylacetamide
CID 43777802
1-(2-bromophenyl)-3-ethyl-1-hydroxyurea;1-(2,5-dichlorophenyl)-3-ethyl-1-hydroxyurea;ethyl 4-[ethylcarbamoyl(hydroxy)amino]benzoate;1-hydroxy-1-(2-methoxycyclohexyl)-3-propylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(3-methylphenyl)-3-propylurea
CID 158317985
N-ethyl-2-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18155625
(2S)-2-hydroxy-4-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 107839522
1-[1-(2-methoxyphenyl)ethyl]-1-methyl-3-(2-propan-2-ylsulfanylethyl)urea
CID 122566053
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide
CID 81387454
2-[[2-(2-methoxy-N-methylsulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132678624
(2R)-2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100524307
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-[(4-bromophenyl)methyl]amino]-N-propylpropanamide
CID 132635997
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide
CID 132689488
2-[2-(2-methoxyphenoxy)ethylamino]-N-propylpropanamide
CID 60676693

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea?
The IUPAC name of 1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea (CID 158065608) is 1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea.
What is the SMILES notation for 1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea?
The canonical SMILES for 1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea is CCCNC(=O)N(O)c1ccccc1OC.COc1ccccc1N(O)C(=O)NC(C)C.
What is the InChIKey of 1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea?
The InChIKey is FLEMLIVHRNMRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16N2O3/c1-8(2)12-11(14)13(15)9-6-4-5-7-10(9)16-3;1-3-8-12-11(14)13(15)9-6-4-5-7-10(9)16-2/h4-8,15H,1-3H3,(H,12,14);4-7,15H,3,8H2,1-2H3,(H,12,14).
What are the key properties of 1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea?
1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea has a molecular weight of 448.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(2-methoxyphenyl)-3-propan-2-ylurea;1-hydroxy-1-(2-methoxyphenyl)-3-propylurea is sourced from PubChem (CID 158065608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).