N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide

C28H34N2O4 — CID 160722041

IUPACN-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide
SMILESCOc1nc(OCc2cccc(-c3cccc(CO)c3C)c2C)ccc1CCCCNC(C)=O
InChIInChI=1S/C28H34N2O4/c1-19-23(17-31)10-7-12-25(19)26-13-8-11-24(20(26)2)18-34-27-15-14-22(28(30-27)33-4)9-5-6-16-29-21(3)32/h7-8,10-15,31H,5-6,9,16-18H2,1-4H3,(H,29,32)
InChIKeyNOZCGVMFPGWXEC-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.90
Rot. Bonds11

About N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide

N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide (PubChem CID 160722041) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide
PubChem CID160722041
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC NameN-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide
SMILESCOc1nc(OCc2cccc(-c3cccc(CO)c3C)c2C)ccc1CCCCNC(C)=O
InChIInChI=1S/C28H34N2O4/c1-19-23(17-31)10-7-12-25(19)26-13-8-11-24(20(26)2)18-34-27-15-14-22(28(30-27)33-4)9-5-6-16-29-21(3)32/h7-8,10-15,31H,5-6,9,16-18H2,1-4H3,(H,29,32)
InChIKeyNOZCGVMFPGWXEC-UHFFFAOYSA-N
XLogP4.90
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.90
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

(3R)-3-hydroxy-6-[6-[[3-[3-[[5-[[[(2S)-2-hydroxy-4-oxopentyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]hexanoic acid
CID 160831793
3-[[2-methoxy-6-[[3-[3-[[6-methoxy-5-[(3-oxobutylamino)methyl]-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methylamino]propanamide
CID 162033449
5-aminopentan-2-one;2-chloro-6-methoxypyridine;6-chloro-2-methoxypyridine-3-carbaldehyde;6-[[3-[3-[(5,6-dimethoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde;2,2-dimethylpropane;methane;bis(N-[4-[2-methoxy-6-[[3-[3-[[6-methoxy-5-[(4-oxopentylamino)methyl]-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]butyl]acetamide)
CID 158574600
N'-[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]acetohydrazide
CID 166544455
N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride
CID 159051568
4-[6-[[2-chloro-3-[2-chloro-3-[[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]butan-1-ol
CID 162177386
N-[4-[2-(2-hydroxyethoxy)-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]butyl]acetamide
CID 160950180
4-[[6-[[3-[3-[[5-[[(3-carboxy-2-hydroxypropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-fluorophenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-3-hydroxybutanoic acid
CID 135361375
2-[[2-ethoxy-6-[[3-[3-[[6-ethoxy-5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methylamino]ethanol
CID 135361046
[1-[[6-[[3-[3-[[5-[[(1-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol
CID 159267555
4-[[6-[[3-[3-[[5-[[(3-carboxy-3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-2,2-difluoro-3-hydroxybutanoic acid
CID 135361206
[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate
CID 163912501

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide?
The IUPAC name of N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide (CID 160722041) is N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide.
What is the SMILES notation for N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide?
The canonical SMILES for N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide is COc1nc(OCc2cccc(-c3cccc(CO)c3C)c2C)ccc1CCCCNC(C)=O.
What is the InChIKey of N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide?
The InChIKey is NOZCGVMFPGWXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-19-23(17-31)10-7-12-25(19)26-13-8-11-24(20(26)2)18-34-27-15-14-22(28(30-27)33-4)9-5-6-16-29-21(3)32/h7-8,10-15,31H,5-6,9,16-18H2,1-4H3,(H,29,32).
What are the key properties of N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide?
N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide has a molecular weight of 462.59 g/mol, XLogP of 4.90, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide is sourced from PubChem (CID 160722041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).