(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide

C23H39NO3 — CID 100712023

IUPAC(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1
InChIInChI=1S/C23H39NO3/c1-8-10-11-12-23(7,27-13-9-2)22(25)24-20-14-18(5)21(19(6)15-20)26-16-17(3)4/h14-15,17H,8-13,16H2,1-7H3,(H,24,25)/t23-/m1/s1
InChIKeyWIHZMGPJPIWUBC-HSZRJFAPSA-N
MW377.57 g/mol
LogP6.04
Rot. Bonds12

About (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide

(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide (PubChem CID 100712023) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide.

Molecular Properties

Compound Name(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
PubChem CID100712023
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC Name(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1
InChIInChI=1S/C23H39NO3/c1-8-10-11-12-23(7,27-13-9-2)22(25)24-20-14-18(5)21(19(6)15-20)26-16-17(3)4/h14-15,17H,8-13,16H2,1-7H3,(H,24,25)/t23-/m1/s1
InChIKeyWIHZMGPJPIWUBC-HSZRJFAPSA-N
XLogP6.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide 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

(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739252
2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
CID 133246325
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246333
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide
CID 133254721
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778205
methyl 2-(2-methylpropoxy)-5-[[(2S)-2-methyl-2-propoxyheptanoyl]amino]benzoate
CID 100766289
(2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide
CID 100702276
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide
CID 100740417
(2R)-N-(4-methoxy-3,5-dimethylphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100739126
N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 133246537

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide?
The IUPAC name of (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide (CID 100712023) is (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide.
What is the SMILES notation for (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide?
The canonical SMILES for (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide is CCCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1.
What is the InChIKey of (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide?
The InChIKey is WIHZMGPJPIWUBC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H39NO3/c1-8-10-11-12-23(7,27-13-9-2)22(25)24-20-14-18(5)21(19(6)15-20)26-16-17(3)4/h14-15,17H,8-13,16H2,1-7H3,(H,24,25)/t23-/m1/s1.
What are the key properties of (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide?
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide has a molecular weight of 377.57 g/mol, XLogP of 6.04, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide is sourced from PubChem (CID 100712023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).