(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide

C21H35NO3 — CID 100702377

IUPAC(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
SMILESCCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCCCC)c(C)c1
InChIInChI=1S/C21H35NO3/c1-7-9-11-12-21(5,24-6)20(23)22-18-14-16(3)19(17(4)15-18)25-13-10-8-2/h14-15H,7-13H2,1-6H3,(H,22,23)/t21-/m1/s1
InChIKeyAGQDLZALCKMHMW-OAQYLSRUSA-N
MW349.52 g/mol
LogP5.41
Rot. Bonds11

About (2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide

(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide (PubChem CID 100702377) has the molecular formula C21H35NO3 and a molecular weight of 349.52 g/mol. Its IUPAC name is (2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide.

Molecular Properties

Compound Name(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
PubChem CID100702377
Molecular FormulaC21H35NO3
Molecular Weight349.52 g/mol
Exact Mass349.26
IUPAC Name(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
SMILESCCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCCCC)c(C)c1
InChIInChI=1S/C21H35NO3/c1-7-9-11-12-21(5,24-6)20(23)22-18-14-16(3)19(17(4)15-18)25-13-10-8-2/h14-15H,7-13H2,1-6H3,(H,22,23)/t21-/m1/s1
InChIKeyAGQDLZALCKMHMW-OAQYLSRUSA-N
XLogP5.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.41
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)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide
CID 100702276
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762
N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 133246537
(2S)-N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 100722577
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712023
N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
CID 133245973
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide
CID 133254721
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698179
(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698312
(2R)-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methoxy-2-methylhexanamide
CID 100774797

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide?
The IUPAC name of (2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide (CID 100702377) is (2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide.
What is the SMILES notation for (2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide?
The canonical SMILES for (2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide is CCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCCCC)c(C)c1.
What is the InChIKey of (2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide?
The InChIKey is AGQDLZALCKMHMW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H35NO3/c1-7-9-11-12-21(5,24-6)20(23)22-18-14-16(3)19(17(4)15-18)25-13-10-8-2/h14-15H,7-13H2,1-6H3,(H,22,23)/t21-/m1/s1.
What are the key properties of (2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide?
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide has a molecular weight of 349.52 g/mol, XLogP of 5.41, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide is sourced from PubChem (CID 100702377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).