6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide

C18H27NO2 — CID 168735068

IUPAC6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide
SMILESCC(C)CCCCC(=O)Nc1cccc(C(=O)C(C)C)c1
InChIInChI=1S/C18H27NO2/c1-13(2)8-5-6-11-17(20)19-16-10-7-9-15(12-16)18(21)14(3)4/h7,9-10,12-14H,5-6,8,11H2,1-4H3,(H,19,20)
InChIKeyOKDWFCGPTUXEEP-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.68
Rot. Bonds8

About 6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide

6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide (PubChem CID 168735068) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide.

Molecular Properties

Compound Name6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide
PubChem CID168735068
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide
SMILESCC(C)CCCCC(=O)Nc1cccc(C(=O)C(C)C)c1
InChIInChI=1S/C18H27NO2/c1-13(2)8-5-6-11-17(20)19-16-10-7-9-15(12-16)18(21)14(3)4/h7,9-10,12-14H,5-6,8,11H2,1-4H3,(H,19,20)
InChIKeyOKDWFCGPTUXEEP-UHFFFAOYSA-N
XLogP4.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[4-(2-methylpropanoyl)phenyl]heptanamide
CID 168735122
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
4-(16-methylheptadecanoylamino)benzoic acid
CID 139715383
3-(heptanoylamino)benzamide
CID 54789184
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide
CID 42579564
3-(5-bromopentanoylamino)benzoic acid
CID 107908251
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
methyl 3-[(5-amino-4-methylpentanoyl)amino]benzoate
CID 82012045
N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
CID 170791141
5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
CID 82850255

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide?
The IUPAC name of 6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide (CID 168735068) is 6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide.
What is the SMILES notation for 6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide?
The canonical SMILES for 6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide is CC(C)CCCCC(=O)Nc1cccc(C(=O)C(C)C)c1.
What is the InChIKey of 6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide?
The InChIKey is OKDWFCGPTUXEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)8-5-6-11-17(20)19-16-10-7-9-15(12-16)18(21)14(3)4/h7,9-10,12-14H,5-6,8,11H2,1-4H3,(H,19,20).
What are the key properties of 6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide?
6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide has a molecular weight of 289.42 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide is sourced from PubChem (CID 168735068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).