N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide

C17H27NO2 — CID 156877683

IUPACN,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)(C)C(=O)N(C)CCC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)11-12-18(6)16(19)17(4,5)20-15-9-7-14(3)8-10-15/h7-10,13H,11-12H2,1-6H3
InChIKeyHVHFYXIDCIUOIR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.66
Rot. Bonds6

About N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide

N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide (PubChem CID 156877683) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide
PubChem CID156877683
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)(C)C(=O)N(C)CCC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)11-12-18(6)16(19)17(4,5)20-15-9-7-14(3)8-10-15/h7-10,13H,11-12H2,1-6H3
InChIKeyHVHFYXIDCIUOIR-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide (CID 156877683) is N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)(C)C(=O)N(C)CCC(C)C)cc1.
What is the InChIKey of N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is HVHFYXIDCIUOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)11-12-18(6)16(19)17(4,5)20-15-9-7-14(3)8-10-15/h7-10,13H,11-12H2,1-6H3.
What are the key properties of N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide?
N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide has a molecular weight of 277.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 156877683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).