(2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide

C23H39NO4 — CID 141057475

IUPAC(2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide
SMILESCCC[C@](C)(CCCCCCc1ccc(OC)c(OCCCOC)c1)C(N)=O
InChIInChI=1S/C23H39NO4/c1-5-14-23(2,22(24)25)15-9-7-6-8-11-19-12-13-20(27-4)21(18-19)28-17-10-16-26-3/h12-13,18H,5-11,14-17H2,1-4H3,(H2,24,25)/t23-/m1/s1
InChIKeyIQKFCUKEZGLZKE-HSZRJFAPSA-N
MW393.57 g/mol
LogP4.90
Rot. Bonds16

About (2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide

(2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide (PubChem CID 141057475) has the molecular formula C23H39NO4 and a molecular weight of 393.57 g/mol. Its IUPAC name is (2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide.

Molecular Properties

Compound Name(2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide
PubChem CID141057475
Molecular FormulaC23H39NO4
Molecular Weight393.57 g/mol
Exact Mass393.29
IUPAC Name(2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide
SMILESCCC[C@](C)(CCCCCCc1ccc(OC)c(OCCCOC)c1)C(N)=O
InChIInChI=1S/C23H39NO4/c1-5-14-23(2,22(24)25)15-9-7-6-8-11-19-12-13-20(27-4)21(18-19)28-17-10-16-26-3/h12-13,18H,5-11,14-17H2,1-4H3,(H2,24,25)/t23-/m1/s1
InChIKeyIQKFCUKEZGLZKE-HSZRJFAPSA-N
XLogP4.90
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 54.90
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

8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
CID 141057465
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
3-hydroxy-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-one
CID 121301650
N-(2-formamido-2-methylpropyl)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide
CID 91195500
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine
CID 135313299
N-[4-(dimethylamino)-4-oxobutyl]-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,2-di(propan-2-yl)octanamide
CID 91519200
[1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3,3-dimethylbutan-2-yl]urea
CID 123390795
(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
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
N-(3-amino-2,2-dimethyl-3-oxopropyl)-8-[3-(3-methoxypropoxy)-4-propan-2-ylphenyl]-2,2-di(propan-2-yl)octanamide
CID 91594365

Frequently Asked Questions

What is the IUPAC name of (2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide?
The IUPAC name of (2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide (CID 141057475) is (2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide.
What is the SMILES notation for (2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide?
The canonical SMILES for (2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide is CCC[C@](C)(CCCCCCc1ccc(OC)c(OCCCOC)c1)C(N)=O.
What is the InChIKey of (2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide?
The InChIKey is IQKFCUKEZGLZKE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H39NO4/c1-5-14-23(2,22(24)25)15-9-7-6-8-11-19-12-13-20(27-4)21(18-19)28-17-10-16-26-3/h12-13,18H,5-11,14-17H2,1-4H3,(H2,24,25)/t23-/m1/s1.
What are the key properties of (2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide?
(2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide has a molecular weight of 393.57 g/mol, XLogP of 4.90, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide is sourced from PubChem (CID 141057475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).