N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide

C19H31NO3 — CID 133246040

IUPACN-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
SMILESCCCCC(C)(OC)C(=O)Nc1ccc(OC(C)CC)c(C)c1
InChIInChI=1S/C19H31NO3/c1-7-9-12-19(5,22-6)18(21)20-16-10-11-17(14(3)13-16)23-15(4)8-2/h10-11,13,15H,7-9,12H2,1-6H3,(H,20,21)
InChIKeyDMPRZVLOWWBOGD-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.71
Rot. Bonds9

About N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide

N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide (PubChem CID 133246040) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
PubChem CID133246040
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC NameN-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
SMILESCCCCC(C)(OC)C(=O)Nc1ccc(OC(C)CC)c(C)c1
InChIInChI=1S/C19H31NO3/c1-7-9-12-19(5,22-6)18(21)20-16-10-11-17(14(3)13-16)23-15(4)8-2/h10-11,13,15H,7-9,12H2,1-6H3,(H,20,21)
InChIKeyDMPRZVLOWWBOGD-UHFFFAOYSA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
N-(4-butan-2-yloxy-3-methylphenyl)-2-ethoxy-2-methylpentanamide
CID 133246636
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide
CID 100736672
N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
CID 133245973
2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide
CID 133252242
(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 100727452
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
CID 100701055
(2S)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-2-methylhexanamide
CID 100701068
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100723785
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2,2,2-trifluoroacetamide
CID 100688491
(2S)-2-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylpentanamide
CID 100697822
N-(4-butan-2-yloxy-3-methylphenyl)-2,2,2-trichloroacetamide
CID 133245821

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide?
The IUPAC name of N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide (CID 133246040) is N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide.
What is the SMILES notation for N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide?
The canonical SMILES for N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide is CCCCC(C)(OC)C(=O)Nc1ccc(OC(C)CC)c(C)c1.
What is the InChIKey of N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide?
The InChIKey is DMPRZVLOWWBOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-7-9-12-19(5,22-6)18(21)20-16-10-11-17(14(3)13-16)23-15(4)8-2/h10-11,13,15H,7-9,12H2,1-6H3,(H,20,21).
What are the key properties of N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide?
N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide has a molecular weight of 321.46 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide is sourced from PubChem (CID 133246040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).