4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide

C25H43NO5 — CID 143806313

IUPAC4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
SMILESCOCCCOc1cc(CC(CCC(O)CC(C(N)=O)C(C)C)C(C)C)ccc1OC
InChIInChI=1S/C25H43NO5/c1-17(2)20(9-10-21(27)16-22(18(3)4)25(26)28)14-19-8-11-23(30-6)24(15-19)31-13-7-12-29-5/h8,11,15,17-18,20-22,27H,7,9-10,12-14,16H2,1-6H3,(H2,26,28)
InChIKeyOGOUTHZIENMYRC-UHFFFAOYSA-N
MW437.62 g/mol
LogP4.21
Rot. Bonds16

About 4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide

4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide (PubChem CID 143806313) has the molecular formula C25H43NO5 and a molecular weight of 437.62 g/mol. Its IUPAC name is 4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide.

Molecular Properties

Compound Name4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
PubChem CID143806313
Molecular FormulaC25H43NO5
Molecular Weight437.62 g/mol
Exact Mass437.31
IUPAC Name4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
SMILESCOCCCOc1cc(CC(CCC(O)CC(C(N)=O)C(C)C)C(C)C)ccc1OC
InChIInChI=1S/C25H43NO5/c1-17(2)20(9-10-21(27)16-22(18(3)4)25(26)28)14-19-8-11-23(30-6)24(15-19)31-13-7-12-29-5/h8,11,15,17-18,20-22,27H,7,9-10,12-14,16H2,1-6H3,(H2,26,28)
InChIKeyOGOUTHZIENMYRC-UHFFFAOYSA-N
XLogP4.21
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.62
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-5-hydroxy-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-9-methyl-3-propan-2-yldecan-2-one
CID 143289312
(2S,4R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 129164188
7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoic acid
CID 123378037
(4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 143053801
ethane;(4R)-4-hydroxy-N-(1-hydroxyhexan-2-yl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 143053804
(4R)-N-(2-butylheptyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 143053773
(4S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoic acid
CID 69124922
methyl 1-[[(2S,4R,7R)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoyl]amino]cyclohexane-1-carboxylate
CID 70334281
(2S,4R,7R)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-propan-2-ylnonanamide
CID 70879016
7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnon-4-enoic acid
CID 67991948
methyl (E,2S,7R)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnon-4-enoate
CID 53486195
(2S,4R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoic acid
CID 70334585

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide?
The IUPAC name of 4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide (CID 143806313) is 4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide.
What is the SMILES notation for 4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide?
The canonical SMILES for 4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide is COCCCOc1cc(CC(CCC(O)CC(C(N)=O)C(C)C)C(C)C)ccc1OC.
What is the InChIKey of 4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide?
The InChIKey is OGOUTHZIENMYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO5/c1-17(2)20(9-10-21(27)16-22(18(3)4)25(26)28)14-19-8-11-23(30-6)24(15-19)31-13-7-12-29-5/h8,11,15,17-18,20-22,27H,7,9-10,12-14,16H2,1-6H3,(H2,26,28).
What are the key properties of 4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide?
4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide has a molecular weight of 437.62 g/mol, XLogP of 4.21, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide is sourced from PubChem (CID 143806313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).