2-[4-(diethylamino)butylamino]-1-phenylethanone

C16H26N2O — CID 82101197

IUPAC2-[4-(diethylamino)butylamino]-1-phenylethanone
SMILESCCN(CC)CCCCNCC(=O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-18(4-2)13-9-8-12-17-14-16(19)15-10-6-5-7-11-15/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3
InChIKeyBOVOGNMGZQMGDK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds10

About 2-[4-(diethylamino)butylamino]-1-phenylethanone

2-[4-(diethylamino)butylamino]-1-phenylethanone (PubChem CID 82101197) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-(diethylamino)butylamino]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-(diethylamino)butylamino]-1-phenylethanone
PubChem CID82101197
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-(diethylamino)butylamino]-1-phenylethanone
SMILESCCN(CC)CCCCNCC(=O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-18(4-2)13-9-8-12-17-14-16(19)15-10-6-5-7-11-15/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3
InChIKeyBOVOGNMGZQMGDK-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(hexylamino)-1-phenylethanone
CID 82101185
1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 82258278
2-(4-hydroxybutylamino)-1-phenylethanone
CID 15748500
N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
CID 113288084
1-phenyl-2-[2-(propylamino)ethylamino]ethanone
CID 69282743
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone
CID 59233394
(2R)-2-methyl-5-(phenacylamino)pentanoic acid
CID 118133420
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
1-(3-amino-4-ethoxyphenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 95410820
2-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-ylamino]-1-phenylethanone
CID 169439942

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)butylamino]-1-phenylethanone?
The IUPAC name of 2-[4-(diethylamino)butylamino]-1-phenylethanone (CID 82101197) is 2-[4-(diethylamino)butylamino]-1-phenylethanone.
What is the SMILES notation for 2-[4-(diethylamino)butylamino]-1-phenylethanone?
The canonical SMILES for 2-[4-(diethylamino)butylamino]-1-phenylethanone is CCN(CC)CCCCNCC(=O)c1ccccc1.
What is the InChIKey of 2-[4-(diethylamino)butylamino]-1-phenylethanone?
The InChIKey is BOVOGNMGZQMGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18(4-2)13-9-8-12-17-14-16(19)15-10-6-5-7-11-15/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3.
What are the key properties of 2-[4-(diethylamino)butylamino]-1-phenylethanone?
2-[4-(diethylamino)butylamino]-1-phenylethanone has a molecular weight of 262.40 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)butylamino]-1-phenylethanone is sourced from PubChem (CID 82101197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).