N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide

C18H29NO3 — CID 133245973

IUPACN-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(CCC)OC)cc1C
InChIInChI=1S/C18H29NO3/c1-6-8-12-22-16-10-9-15(13-14(16)3)19-17(20)18(4,21-5)11-7-2/h9-10,13H,6-8,11-12H2,1-5H3,(H,19,20)
InChIKeyDLZVHMQOCJXBQD-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.32
Rot. Bonds9

About N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide

N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide (PubChem CID 133245973) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide.

Molecular Properties

Compound NameN-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
PubChem CID133245973
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(CCC)OC)cc1C
InChIInChI=1S/C18H29NO3/c1-6-8-12-22-16-10-9-15(13-14(16)3)19-17(20)18(4,21-5)11-7-2/h9-10,13H,6-8,11-12H2,1-5H3,(H,19,20)
InChIKeyDLZVHMQOCJXBQD-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
(2S)-2-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylpentanamide
CID 100697822
N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 133246040
methyl 2-butoxy-5-[(2-methoxy-2-methylheptanoyl)amino]benzoate
CID 133229844
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100702581
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
N-(3-cyano-4-propoxyphenyl)-2-methoxy-2-methylhexanamide
CID 133229817
N-[3-chloro-4-(3-methoxy-3-methylbutoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133246109
methyl 2-butoxy-5-[(2-methyl-2-propoxypentanoyl)amino]benzoate
CID 133204105
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
CID 133246325

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide?
The IUPAC name of N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide (CID 133245973) is N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide.
What is the SMILES notation for N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide?
The canonical SMILES for N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide is CCCCOc1ccc(NC(=O)C(C)(CCC)OC)cc1C.
What is the InChIKey of N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide?
The InChIKey is DLZVHMQOCJXBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-6-8-12-22-16-10-9-15(13-14(16)3)19-17(20)18(4,21-5)11-7-2/h9-10,13H,6-8,11-12H2,1-5H3,(H,19,20).
What are the key properties of N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide?
N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide has a molecular weight of 307.43 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide is sourced from PubChem (CID 133245973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).