2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone

C17H28N2O2 — CID 169439942

IUPAC2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone
SMILESCCN(CCO)CCCC(C)NCC(=O)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-3-19(12-13-20)11-7-8-15(2)18-14-17(21)16-9-5-4-6-10-16/h4-6,9-10,15,18,20H,3,7-8,11-14H2,1-2H3
InChIKeyJVBFBQFGTVMYCB-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.94
Rot. Bonds11

About 2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone

2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone (PubChem CID 169439942) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone.

Molecular Properties

Compound Name2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone
PubChem CID169439942
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone
SMILESCCN(CCO)CCCC(C)NCC(=O)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-3-19(12-13-20)11-7-8-15(2)18-14-17(21)16-9-5-4-6-10-16/h4-6,9-10,15,18,20H,3,7-8,11-14H2,1-2H3
InChIKeyJVBFBQFGTVMYCB-UHFFFAOYSA-N
XLogP1.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(diethylamino)butylamino]-1-phenylethanone
CID 82101197
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
CID 43199220
N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide
CID 7600988
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
N-tert-butyl-2-[5-(diethylamino)pentan-2-ylamino]acetamide
CID 43179840
3-[2-hydroxyethyl(phenacyl)amino]-2-methylpropanoic acid
CID 82329874
(2R)-2-(phenacylamino)hexadecanoic acid
CID 153409524

Frequently Asked Questions

What is the IUPAC name of 2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone?
The IUPAC name of 2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone (CID 169439942) is 2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone.
What is the SMILES notation for 2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone?
The canonical SMILES for 2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone is CCN(CCO)CCCC(C)NCC(=O)c1ccccc1.
What is the InChIKey of 2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone?
The InChIKey is JVBFBQFGTVMYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-19(12-13-20)11-7-8-15(2)18-14-17(21)16-9-5-4-6-10-16/h4-6,9-10,15,18,20H,3,7-8,11-14H2,1-2H3.
What are the key properties of 2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone?
2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone has a molecular weight of 292.42 g/mol, XLogP of 1.94, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone is sourced from PubChem (CID 169439942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).