2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide

C22H37NO3 — CID 133246325

IUPAC2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1
InChIInChI=1S/C22H37NO3/c1-7-9-10-13-22(6,26-14-8-2)21(24)23-19-11-12-20(18(5)15-19)25-16-17(3)4/h11-12,15,17H,7-10,13-14,16H2,1-6H3,(H,23,24)
InChIKeyIUSBCUDISOGXAG-UHFFFAOYSA-N
MW363.54 g/mol
LogP5.73
Rot. Bonds12

About 2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide

2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide (PubChem CID 133246325) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
PubChem CID133246325
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1
InChIInChI=1S/C22H37NO3/c1-7-9-10-13-22(6,26-14-8-2)21(24)23-19-11-12-20(18(5)15-19)25-16-17(3)4/h11-12,15,17H,7-10,13-14,16H2,1-6H3,(H,23,24)
InChIKeyIUSBCUDISOGXAG-UHFFFAOYSA-N
XLogP5.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-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

methyl 2-(2-methylpropoxy)-5-[[(2S)-2-methyl-2-propoxyheptanoyl]amino]benzoate
CID 100766289
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712023
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-(2-methylpropoxy)benzoate
CID 133203902
methyl 2-(2-methylpropoxy)-5-[[(2R)-2-methyl-2-propoxypentanoyl]amino]benzoate
CID 100764936
2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide
CID 133245849
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide
CID 133204118
ethyl 5-[[(2S)-2-methyl-2-propoxyheptanoyl]amino]-2-propoxybenzoate
CID 100766340
N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
CID 133245973
(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766204
methyl 5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100760715
(2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide
CID 100742155

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide?
The IUPAC name of 2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide (CID 133246325) is 2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide?
The canonical SMILES for 2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide is CCCCCC(C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1.
What is the InChIKey of 2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide?
The InChIKey is IUSBCUDISOGXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3/c1-7-9-10-13-22(6,26-14-8-2)21(24)23-19-11-12-20(18(5)15-19)25-16-17(3)4/h11-12,15,17H,7-10,13-14,16H2,1-6H3,(H,23,24).
What are the key properties of 2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide?
2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide has a molecular weight of 363.54 g/mol, XLogP of 5.73, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide is sourced from PubChem (CID 133246325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).