N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide

C16H25NO3 — CID 133245858

IUPACN-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(CC)OC)cc1
InChIInChI=1S/C16H25NO3/c1-5-7-12-20-14-10-8-13(9-11-14)17-15(18)16(3,6-2)19-4/h8-11H,5-7,12H2,1-4H3,(H,17,18)
InChIKeyAMCDFFNUYLCBFK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.62
Rot. Bonds8

About N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide

N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide (PubChem CID 133245858) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
PubChem CID133245858
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(CC)OC)cc1
InChIInChI=1S/C16H25NO3/c1-5-7-12-20-14-10-8-13(9-11-14)17-15(18)16(3,6-2)19-4/h8-11H,5-7,12H2,1-4H3,(H,17,18)
InChIKeyAMCDFFNUYLCBFK-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide 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

(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100693614
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133167167
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245864
2-bromo-N-(4-butoxyphenyl)-2-methylpropanamide
CID 71668805
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 100697214
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 133245970
N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide
CID 133245961

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide?
The IUPAC name of N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide (CID 133245858) is N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide is CCCCOc1ccc(NC(=O)C(C)(CC)OC)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide?
The InChIKey is AMCDFFNUYLCBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-7-12-20-14-10-8-13(9-11-14)17-15(18)16(3,6-2)19-4/h8-11H,5-7,12H2,1-4H3,(H,17,18).
What are the key properties of N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide?
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide has a molecular weight of 279.38 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 133245858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).