1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one

C25H35NO5 — CID 175348334

IUPAC1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one
SMILESCCCCCCCCC(=O)C(NCc1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1
InChIInChI=1S/C25H35NO5/c1-4-5-6-7-8-9-10-22(29)25(19-12-14-21(28)24(16-19)31-3)26-17-18-11-13-20(27)23(15-18)30-2/h11-16,25-28H,4-10,17H2,1-3H3
InChIKeyZANXDRJVKBUMQV-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.27
Rot. Bonds14

About 1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one

1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one (PubChem CID 175348334) has the molecular formula C25H35NO5 and a molecular weight of 429.56 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one
PubChem CID175348334
Molecular FormulaC25H35NO5
Molecular Weight429.56 g/mol
Exact Mass429.25
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one
SMILESCCCCCCCCC(=O)C(NCc1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1
InChIInChI=1S/C25H35NO5/c1-4-5-6-7-8-9-10-22(29)25(19-12-14-21(28)24(16-19)31-3)26-17-18-11-13-20(27)23(15-18)30-2/h11-16,25-28H,4-10,17H2,1-3H3
InChIKeyZANXDRJVKBUMQV-UHFFFAOYSA-N
XLogP5.27
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one with MolForge

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
CID 11989921
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
2-[(4-hydroxy-3-methoxyphenyl)methylamino]butanoic acid
CID 82364241
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035
(4-hydroxy-3-methoxyphenyl)methyl undecanoate
CID 15979965
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
CID 155414838
2-(4-hydroxy-3-methoxyphenyl)ethyl octacosanoate
CID 101421508
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
N-hydroxy-2-(4-hydroxy-3-methoxyphenyl)decanamide
CID 123800302
methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate
CID 134337029

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one (CID 175348334) is 1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one is CCCCCCCCC(=O)C(NCc1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one?
The InChIKey is ZANXDRJVKBUMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO5/c1-4-5-6-7-8-9-10-22(29)25(19-12-14-21(28)24(16-19)31-3)26-17-18-11-13-20(27)23(15-18)30-2/h11-16,25-28H,4-10,17H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one?
1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one has a molecular weight of 429.56 g/mol, XLogP of 5.27, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]decan-2-one is sourced from PubChem (CID 175348334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).