3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide

C17H27NO2 — CID 56530010

IUPAC3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)18(13(3)4)17(19)7-8-20-16-10-14(5)9-15(6)11-16/h9-13H,7-8H2,1-6H3
InChIKeyNBNIFXGDWVIKPT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.72
Rot. Bonds6

About 3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide

3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide (PubChem CID 56530010) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide
PubChem CID56530010
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)N(C(C)C)C(C)C)c1
InChIInChI=1S/C17H27NO2/c1-12(2)18(13(3)4)17(19)7-8-20-16-10-14(5)9-15(6)11-16/h9-13H,7-8H2,1-6H3
InChIKeyNBNIFXGDWVIKPT-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 60731406
2-[3-(3,5-dimethylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 62818293
5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
CID 82013924
3-(3,5-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443487
ethyl 2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 61344778
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
CID 39349318
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
methyl (2S)-2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 87040329
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide (CID 56530010) is 3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide is Cc1cc(C)cc(OCCC(=O)N(C(C)C)C(C)C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide?
The InChIKey is NBNIFXGDWVIKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)18(13(3)4)17(19)7-8-20-16-10-14(5)9-15(6)11-16/h9-13H,7-8H2,1-6H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide?
3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 56530010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).