2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide

C15H22N2O3 — CID 62030928

IUPAC2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)c1ccc(O)cc1)CC(=O)N(C)C
InChIInChI=1S/C15H22N2O3/c1-4-9-17(11-15(20)16(2)3)10-14(19)12-5-7-13(18)8-6-12/h5-8,18H,4,9-11H2,1-3H3
InChIKeyUERCOFQSJHLRCS-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds7

About 2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide

2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide (PubChem CID 62030928) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
PubChem CID62030928
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)c1ccc(O)cc1)CC(=O)N(C)C
InChIInChI=1S/C15H22N2O3/c1-4-9-17(11-15(20)16(2)3)10-14(19)12-5-7-13(18)8-6-12/h5-8,18H,4,9-11H2,1-3H3
InChIKeyUERCOFQSJHLRCS-UHFFFAOYSA-N
XLogP1.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031315
1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795614
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031117
2-[ethyl-[2-(4-iodophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62036311
2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030551
3-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-4-fluorobenzoic acid
CID 107452233
2-(dipropylamino)-1-(4-phenylphenyl)ethanone
CID 82051052
2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 107870506
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 60678370
1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55138272
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide (CID 62030928) is 2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)c1ccc(O)cc1)CC(=O)N(C)C.
What is the InChIKey of 2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is UERCOFQSJHLRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-9-17(11-15(20)16(2)3)10-14(19)12-5-7-13(18)8-6-12/h5-8,18H,4,9-11H2,1-3H3.
What are the key properties of 2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide?
2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62030928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).