2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide

C17H26N2O — CID 115917694

IUPAC2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(NC(C)CC2CCC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-18-17(20)12-15-7-9-16(10-8-15)19-13(2)11-14-5-4-6-14/h7-10,13-14,19H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyTWFPTKBRJBJFPL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.36
Rot. Bonds7

About 2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide

2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide (PubChem CID 115917694) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide
PubChem CID115917694
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(NC(C)CC2CCC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-18-17(20)12-15-7-9-16(10-8-15)19-13(2)11-14-5-4-6-14/h7-10,13-14,19H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyTWFPTKBRJBJFPL-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclobutylpropan-2-ylamino)-N-ethylacetamide
CID 115707078
4-(1-cyclopropylpropan-2-ylamino)-N-methylbenzamide
CID 113489746
N-ethyl-2-[4-(3-methylbutylamino)phenyl]acetamide
CID 43737544
N-(1-cyclopentylpropan-2-yl)aniline
CID 135004448
N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63741623
5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol
CID 107700272
N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide
CID 142183434
N-(1-cyclobutylpropan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 113489689
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide
CID 43789468
2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide
CID 115918854

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide?
The IUPAC name of 2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide (CID 115917694) is 2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide is CCNC(=O)Cc1ccc(NC(C)CC2CCC2)cc1.
What is the InChIKey of 2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide?
The InChIKey is TWFPTKBRJBJFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-18-17(20)12-15-7-9-16(10-8-15)19-13(2)11-14-5-4-6-14/h7-10,13-14,19H,3-6,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide?
2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide has a molecular weight of 274.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclobutylpropan-2-ylamino)phenyl]-N-ethylacetamide is sourced from PubChem (CID 115917694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).