N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide

C23H39NO3 — CID 133246333

IUPACN-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1cc(C)c(OC(C)CC)c(C)c1
InChIInChI=1S/C23H39NO3/c1-8-11-12-13-23(7,26-14-9-2)22(25)24-20-15-17(4)21(18(5)16-20)27-19(6)10-3/h15-16,19H,8-14H2,1-7H3,(H,24,25)
InChIKeyARIYHKQPXDDSAB-UHFFFAOYSA-N
MW377.57 g/mol
LogP6.18
Rot. Bonds12

About N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide

N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide (PubChem CID 133246333) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide
PubChem CID133246333
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC NameN-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1cc(C)c(OC(C)CC)c(C)c1
InChIInChI=1S/C23H39NO3/c1-8-11-12-13-23(7,26-14-9-2)22(25)24-20-15-17(4)21(18(5)16-20)27-19(6)10-3/h15-16,19H,8-14H2,1-7H3,(H,24,25)
InChIKeyARIYHKQPXDDSAB-UHFFFAOYSA-N
XLogP6.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 56.18
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

(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide
CID 100740417
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712023
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide
CID 133254721
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-ethoxy-2-methylpropanamide
CID 133246270
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100696366
2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
CID 133246325
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778205
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100725343
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methyl-2-propoxyheptanamide
CID 133205403

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide?
The IUPAC name of N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide (CID 133246333) is N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide.
What is the SMILES notation for N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide?
The canonical SMILES for N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide is CCCCCC(C)(OCCC)C(=O)Nc1cc(C)c(OC(C)CC)c(C)c1.
What is the InChIKey of N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide?
The InChIKey is ARIYHKQPXDDSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO3/c1-8-11-12-13-23(7,26-14-9-2)22(25)24-20-15-17(4)21(18(5)16-20)27-19(6)10-3/h15-16,19H,8-14H2,1-7H3,(H,24,25).
What are the key properties of N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide?
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide has a molecular weight of 377.57 g/mol, XLogP of 6.18, 12 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-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide is sourced from PubChem (CID 133246333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).