N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide

C16H25NO2 — CID 51212300

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-11-7-8-14(19-6)13(9-11)12(2)17-15(18)10-16(3,4)5/h7-9,12H,10H2,1-6H3,(H,17,18)
InChIKeyUOFXIOPFAFSOAJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.62
Rot. Bonds4

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 51212300) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID51212300
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-11-7-8-14(19-6)13(9-11)12(2)17-15(18)10-16(3,4)5/h7-9,12H,10H2,1-6H3,(H,17,18)
InChIKeyUOFXIOPFAFSOAJ-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
N-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630855
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 55121780
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262533
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263899
4-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119179775

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide (CID 51212300) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide is COc1ccc(C)cc1C(C)NC(=O)CC(C)(C)C.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is UOFXIOPFAFSOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-8-14(19-6)13(9-11)12(2)17-15(18)10-16(3,4)5/h7-9,12H,10H2,1-6H3,(H,17,18).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 51212300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).