N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide

C19H31NO3 — CID 133246319

IUPACN-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C19H31NO3/c1-6-8-9-12-19(4,23-13-7-2)18(21)20-16-10-11-17(22-5)15(3)14-16/h10-11,14H,6-9,12-13H2,1-5H3,(H,20,21)
InChIKeyQFZAWEAPLQITAA-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.71
Rot. Bonds10

About N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide

N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide (PubChem CID 133246319) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
PubChem CID133246319
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC NameN-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCCC(C)(OCCC)C(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C19H31NO3/c1-6-8-9-12-19(4,23-13-7-2)18(21)20-16-10-11-17(22-5)15(3)14-16/h10-11,14H,6-9,12-13H2,1-5H3,(H,20,21)
InChIKeyQFZAWEAPLQITAA-UHFFFAOYSA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
CID 133246325
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 133205393
(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 100742668
methyl 2-methoxy-5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]benzoate
CID 100765762
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 133205355
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide
CID 133254721
(2S)-N-(4-cyclopentyloxy-3-methylphenyl)-2-methyl-2-propoxyhexanamide
CID 100742155
(2S)-2-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylpentanamide
CID 100697822
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712148
ethyl 5-[[(2S)-2-methyl-2-propoxyheptanoyl]amino]-2-propoxybenzoate
CID 100766340
(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766204
N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
CID 133245973

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide (CID 133246319) is N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide is CCCCCC(C)(OCCC)C(=O)Nc1ccc(OC)c(C)c1.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide?
The InChIKey is QFZAWEAPLQITAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-6-8-9-12-19(4,23-13-7-2)18(21)20-16-10-11-17(22-5)15(3)14-16/h10-11,14H,6-9,12-13H2,1-5H3,(H,20,21).
What are the key properties of N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide?
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide has a molecular weight of 321.46 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide is sourced from PubChem (CID 133246319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).