4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one

C19H22NO4- — CID 21140882

IUPAC4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one
SMILESCOc1cccc(C(=O)CC(c2ccccc2)C(C)(C)N([O-])O)c1
InChIInChI=1S/C19H22NO4/c1-19(2,20(22)23)17(14-8-5-4-6-9-14)13-18(21)15-10-7-11-16(12-15)24-3/h4-12,17,22H,13H2,1-3H3/q-1
InChIKeyHKZHDHSCHOMXKQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.02
Rot. Bonds7

About 4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one

4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one (PubChem CID 21140882) has the molecular formula C19H22NO4- and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one.

Molecular Properties

Compound Name4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one
PubChem CID21140882
Molecular FormulaC19H22NO4-
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one
SMILESCOc1cccc(C(=O)CC(c2ccccc2)C(C)(C)N([O-])O)c1
InChIInChI=1S/C19H22NO4/c1-19(2,20(22)23)17(14-8-5-4-6-9-14)13-18(21)15-10-7-11-16(12-15)24-3/h4-12,17,22H,13H2,1-3H3/q-1
InChIKeyHKZHDHSCHOMXKQ-UHFFFAOYSA-N
XLogP4.02
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-3-phenylpentan-1-one
CID 72785339
5-(3-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759683
3-hydroxy-3-iodo-1-(3-methoxyphenyl)propan-1-one
CID 134358093
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
3-amino-1-(3-methoxyphenyl)-4-methylpentan-1-one
CID 116606296
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-amino-1-(3-methoxyphenyl)hexan-1-one
CID 116607861
4,4-bis(3-methoxyphenyl)-2-phenylbut-1-en-1-one
CID 88840532
[4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate
CID 3910563
1-(3-bromophenyl)-4-methyl-4-nitro-3-phenylpentan-1-one
CID 101131060

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one?
The IUPAC name of 4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one (CID 21140882) is 4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one.
What is the SMILES notation for 4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one?
The canonical SMILES for 4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one is COc1cccc(C(=O)CC(c2ccccc2)C(C)(C)N([O-])O)c1.
What is the InChIKey of 4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one?
The InChIKey is HKZHDHSCHOMXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO4/c1-19(2,20(22)23)17(14-8-5-4-6-9-14)13-18(21)15-10-7-11-16(12-15)24-3/h4-12,17,22H,13H2,1-3H3/q-1.
What are the key properties of 4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one?
4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one has a molecular weight of 328.39 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one is sourced from PubChem (CID 21140882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).