3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

C17H27NO3 — CID 61039897

IUPAC3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(OCCC(=O)N(CCCO)C(C)C)c1
InChIInChI=1S/C17H27NO3/c1-13(2)18(9-5-10-19)17(20)8-11-21-16-12-14(3)6-7-15(16)4/h6-7,12-13,19H,5,8-11H2,1-4H3
InChIKeyHDLIVRUZGDHDMJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.69
Rot. Bonds8

About 3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (PubChem CID 61039897) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
PubChem CID61039897
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(OCCC(=O)N(CCCO)C(C)C)c1
InChIInChI=1S/C17H27NO3/c1-13(2)18(9-5-10-19)17(20)8-11-21-16-12-14(3)6-7-15(16)4/h6-7,12-13,19H,5,8-11H2,1-4H3
InChIKeyHDLIVRUZGDHDMJ-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2,5-dimethylphenoxy)pentanoyl-propan-2-ylamino]propanoic acid
CID 119207373
3-[2-(2,5-dimethylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022557
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide
CID 61038899
N-(3-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)-N-propan-2-ylacetamide
CID 61039698
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
propan-2-yl 3-(2,5-dimethylphenoxy)propanoate
CID 112722920
N-(3-hydroxypropyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 62366412
(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
CID 54991126
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (CID 61039897) is 3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is Cc1ccc(C)c(OCCC(=O)N(CCCO)C(C)C)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The InChIKey is HDLIVRUZGDHDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)18(9-5-10-19)17(20)8-11-21-16-12-14(3)6-7-15(16)4/h6-7,12-13,19H,5,8-11H2,1-4H3.
What are the key properties of 3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 61039897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).