N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide

C17H19NO4 — CID 57246344

IUPACN-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19NO4/c1-21-14-7-3-12(4-8-14)16(11-17(19)18-20)13-5-9-15(22-2)10-6-13/h3-10,16,20H,11H2,1-2H3,(H,18,19)
InChIKeyVIUJDZQSOKDGDO-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.73
Rot. Bonds6

About N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide

N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide (PubChem CID 57246344) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
PubChem CID57246344
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19NO4/c1-21-14-7-3-12(4-8-14)16(11-17(19)18-20)13-5-9-15(22-2)10-6-13/h3-10,16,20H,11H2,1-2H3,(H,18,19)
InChIKeyVIUJDZQSOKDGDO-UHFFFAOYSA-N
XLogP2.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
1,1-bis(4-methoxyphenyl)heptane-3,5-dione
CID 70980795
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 3697490
(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate
CID 2038667
(4S)-N-tert-butyl-4-(4-methoxyphenyl)-2-oxo-4-phenylbutanamide
CID 134950823
(3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 97280000
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 72856052

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide?
The IUPAC name of N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide (CID 57246344) is N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide?
The canonical SMILES for N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)NO)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide?
The InChIKey is VIUJDZQSOKDGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-21-14-7-3-12(4-8-14)16(11-17(19)18-20)13-5-9-15(22-2)10-6-13/h3-10,16,20H,11H2,1-2H3,(H,18,19).
What are the key properties of N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide?
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide has a molecular weight of 301.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide is sourced from PubChem (CID 57246344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).