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

C19H33NO2 — CID 156877682

IUPACN,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane
SMILESCC.Cc1ccc(OC(C)(C)C(=O)N(C)CCC(C)C)cc1
InChIInChI=1S/C17H27NO2.C2H6/c1-13(2)11-12-18(6)16(19)17(4,5)20-15-9-7-14(3)8-10-15;1-2/h7-10,13H,11-12H2,1-6H3;1-2H3
InChIKeyWNZGJJAURIXOER-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.68
Rot. Bonds6

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

N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane (PubChem CID 156877682) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane
PubChem CID156877682
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC NameN,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane
SMILESCC.Cc1ccc(OC(C)(C)C(=O)N(C)CCC(C)C)cc1
InChIInChI=1S/C17H27NO2.C2H6/c1-13(2)11-12-18(6)16(19)17(4,5)20-15-9-7-14(3)8-10-15;1-2/h7-10,13H,11-12H2,1-6H3;1-2H3
InChIKeyWNZGJJAURIXOER-UHFFFAOYSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide
CID 156877683
ethane;2-methyl-2-(4-methylphenoxy)propanamide
CID 145199634
propan-2-yl 2-methyl-2-(4-methylphenoxy)propanoate
CID 142223299
N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 86927380
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N,2-dimethyl-2-(4-methylphenoxy)propanamide
CID 134701568
2-(4-chlorophenoxy)-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylpropanamide
CID 43573477
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]propanamide
CID 59581884
4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butan-2-yl 4-methylbenzenesulfonate
CID 143791774
2-(4-chlorophenoxy)-N-(cyclopentylmethyl)-N,2-dimethylpropanamide
CID 60603240
1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol
CID 137476580
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane?
The IUPAC name of N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane (CID 156877682) is N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane.
What is the SMILES notation for N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane?
The canonical SMILES for N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane is CC.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;ethane?
The InChIKey is WNZGJJAURIXOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C2H6/c1-13(2)11-12-18(6)16(19)17(4,5)20-15-9-7-14(3)8-10-15;1-2/h7-10,13H,11-12H2,1-6H3;1-2H3.
What are the key properties of N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane?
N,2-dimethyl-N-(3-methylbutyl)-2-(4-methylphenoxy)propanamide;ethane has a molecular weight of 307.48 g/mol, XLogP of 4.68, 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;ethane is sourced from PubChem (CID 156877682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).