N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide

C23H39NO3 — CID 100699350

IUPACN-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCOC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1
InChIInChI=1S/C23H39NO3/c1-15(2)12-23(26-9,13-16(3)4)22(25)24-20-10-18(7)21(19(8)11-20)27-14-17(5)6/h10-11,15-17H,12-14H2,1-9H3,(H,24,25)
InChIKeyAHWIONKCHINIOE-UHFFFAOYSA-N
MW377.57 g/mol
LogP5.75
Rot. Bonds10

About N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide

N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide (PubChem CID 100699350) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
PubChem CID100699350
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC NameN-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
SMILESCOC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1
InChIInChI=1S/C23H39NO3/c1-15(2)12-23(26-9,13-16(3)4)22(25)24-20-10-18(7)21(19(8)11-20)27-14-17(5)6/h10-11,15-17H,12-14H2,1-9H3,(H,24,25)
InChIKeyAHWIONKCHINIOE-UHFFFAOYSA-N
XLogP5.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100741200
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739252
(2R)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696250
(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696262
N-(4-cyclopentyloxy-3-methylphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699214
(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696440
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712023
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100696366
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100754614
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699464
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100708507

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The IUPAC name of N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide (CID 100699350) is N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The canonical SMILES for N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide is COC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1.
What is the InChIKey of N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
The InChIKey is AHWIONKCHINIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO3/c1-15(2)12-23(26-9,13-16(3)4)22(25)24-20-10-18(7)21(19(8)11-20)27-14-17(5)6/h10-11,15-17H,12-14H2,1-9H3,(H,24,25).
What are the key properties of N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide?
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide has a molecular weight of 377.57 g/mol, XLogP of 5.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 100699350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).