ethane;4-(ethylamino)-5-oxoheptanamide

C11H24N2O2 — CID 176556376

IUPACethane;4-(ethylamino)-5-oxoheptanamide
SMILESCC.CCNC(CCC(N)=O)C(=O)CC
InChIInChI=1S/C9H18N2O2.C2H6/c1-3-8(12)7(11-4-2)5-6-9(10)13;1-2/h7,11H,3-6H2,1-2H3,(H2,10,13);1-2H3
InChIKeyGCQDGJFIPGALCW-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.24
Rot. Bonds7

About ethane;4-(ethylamino)-5-oxoheptanamide

ethane;4-(ethylamino)-5-oxoheptanamide (PubChem CID 176556376) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;4-(ethylamino)-5-oxoheptanamide.

Molecular Properties

Compound Nameethane;4-(ethylamino)-5-oxoheptanamide
PubChem CID176556376
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nameethane;4-(ethylamino)-5-oxoheptanamide
SMILESCC.CCNC(CCC(N)=O)C(=O)CC
InChIInChI=1S/C9H18N2O2.C2H6/c1-3-8(12)7(11-4-2)5-6-9(10)13;1-2/h7,11H,3-6H2,1-2H3,(H2,10,13);1-2H3
InChIKeyGCQDGJFIPGALCW-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-amino-4-(ethylamino)octan-3-one
CID 20755672
2-(ethylamino)-6-methyl-5-oxoheptanamide
CID 174355389
4-(ethylamino)hexan-3-one
CID 91533412
4-(ethylamino)-9,9-dimethyldecan-3-one
CID 89032970
N,2-dimethylpentanediamide;ethane
CID 145111022
2-(ethylamino)-1-ethylsulfonylpentan-3-one
CID 89317453
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one
CID 177156065
2-(ethylamino)-1-piperidin-1-ylpentan-3-one
CID 71154517
2-(ethylamino)-3-oxopentane-1-sulfonic acid
CID 167068949
[(2S)-5-amino-2-(ethylcarbamoylamino)-5-oxopentanoyl]boronic acid
CID 87891784

Frequently Asked Questions

What is the IUPAC name of ethane;4-(ethylamino)-5-oxoheptanamide?
The IUPAC name of ethane;4-(ethylamino)-5-oxoheptanamide (CID 176556376) is ethane;4-(ethylamino)-5-oxoheptanamide.
What is the SMILES notation for ethane;4-(ethylamino)-5-oxoheptanamide?
The canonical SMILES for ethane;4-(ethylamino)-5-oxoheptanamide is CC.CCNC(CCC(N)=O)C(=O)CC.
What is the InChIKey of ethane;4-(ethylamino)-5-oxoheptanamide?
The InChIKey is GCQDGJFIPGALCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C2H6/c1-3-8(12)7(11-4-2)5-6-9(10)13;1-2/h7,11H,3-6H2,1-2H3,(H2,10,13);1-2H3.
What are the key properties of ethane;4-(ethylamino)-5-oxoheptanamide?
ethane;4-(ethylamino)-5-oxoheptanamide has a molecular weight of 216.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(ethylamino)-5-oxoheptanamide is sourced from PubChem (CID 176556376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).