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

C17H27NO3 — CID 133245849

IUPAC2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide
SMILESCCC(C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C)c1
InChIInChI=1S/C17H27NO3/c1-7-17(5,20-6)16(19)18-14-8-9-15(13(4)10-14)21-11-12(2)3/h8-10,12H,7,11H2,1-6H3,(H,18,19)
InChIKeyHZCBRCRWOINYDA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.78
Rot. Bonds7

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

2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide (PubChem CID 133245849) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide
PubChem CID133245849
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide
SMILESCCC(C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C)c1
InChIInChI=1S/C17H27NO3/c1-7-17(5,20-6)16(19)18-14-8-9-15(13(4)10-14)21-11-12(2)3/h8-10,12H,7,11H2,1-6H3,(H,18,19)
InChIKeyHZCBRCRWOINYDA-UHFFFAOYSA-N
XLogP3.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
CID 133246325
ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100753240
ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100759028
N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
CID 133245973
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide
CID 114105808
(2S)-2-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylpentanamide
CID 100697822
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689
methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate
CID 100752495
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133229857

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide?
The IUPAC name of 2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide (CID 133245849) is 2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide is CCC(C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C)c1.
What is the InChIKey of 2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide?
The InChIKey is HZCBRCRWOINYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-7-17(5,20-6)16(19)18-14-8-9-15(13(4)10-14)21-11-12(2)3/h8-10,12H,7,11H2,1-6H3,(H,18,19).
What are the key properties of 2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide?
2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide has a molecular weight of 293.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide is sourced from PubChem (CID 133245849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).