8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide

C20H33NO4 — CID 141057465

IUPAC8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
SMILESCOCCCOc1cc(CCCCCCC(C)C(N)=O)ccc1OC
InChIInChI=1S/C20H33NO4/c1-16(20(21)22)9-6-4-5-7-10-17-11-12-18(24-3)19(15-17)25-14-8-13-23-2/h11-12,15-16H,4-10,13-14H2,1-3H3,(H2,21,22)
InChIKeyMSULCFMCRQUNCQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.72
Rot. Bonds14

About 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide

8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide (PubChem CID 141057465) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide.

Molecular Properties

Compound Name8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
PubChem CID141057465
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Name8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
SMILESCOCCCOc1cc(CCCCCCC(C)C(N)=O)ccc1OC
InChIInChI=1S/C20H33NO4/c1-16(20(21)22)9-6-4-5-7-10-17-11-12-18(24-3)19(15-17)25-14-8-13-23-2/h11-12,15-16H,4-10,13-14H2,1-3H3,(H2,21,22)
InChIKeyMSULCFMCRQUNCQ-UHFFFAOYSA-N
XLogP3.72
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-acetamidoethyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
CID 154511678
4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine
CID 118279248
(2R)-N-(3-tert-butylsulfonylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;hydrochloride
CID 172865516
(2R)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide;dihydrochloride
CID 172818936
(2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide
CID 141057475
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
ethane;methyl 3-amino-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]butanoate
CID 145356356
7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoic acid
CID 123378037
4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 143806313
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823
3-hydroxy-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-one
CID 121301650

Frequently Asked Questions

What is the IUPAC name of 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?
The IUPAC name of 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide (CID 141057465) is 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide.
What is the SMILES notation for 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?
The canonical SMILES for 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide is COCCCOc1cc(CCCCCCC(C)C(N)=O)ccc1OC.
What is the InChIKey of 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?
The InChIKey is MSULCFMCRQUNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4/c1-16(20(21)22)9-6-4-5-7-10-17-11-12-18(24-3)19(15-17)25-14-8-13-23-2/h11-12,15-16H,4-10,13-14H2,1-3H3,(H2,21,22).
What are the key properties of 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide?
8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide has a molecular weight of 351.49 g/mol, XLogP of 3.72, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide is sourced from PubChem (CID 141057465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).