ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide

C14H34N2O2 — CID 145117047

IUPACethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
SMILESCC.CC.CC.CNCCNC(=O)CCC(C)=O
InChIInChI=1S/C8H16N2O2.3C2H6/c1-7(11)3-4-8(12)10-6-5-9-2;3*1-2/h9H,3-6H2,1-2H3,(H,10,12);3*1-2H3
InChIKeyATBMFLWXCYXWLL-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.77
Rot. Bonds6

About ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide

ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide (PubChem CID 145117047) has the molecular formula C14H34N2O2 and a molecular weight of 262.44 g/mol. Its IUPAC name is ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide.

Molecular Properties

Compound Nameethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
PubChem CID145117047
Molecular FormulaC14H34N2O2
Molecular Weight262.44 g/mol
Exact Mass262.26
IUPAC Nameethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
SMILESCC.CC.CC.CNCCNC(=O)CCC(C)=O
InChIInChI=1S/C8H16N2O2.3C2H6/c1-7(11)3-4-8(12)10-6-5-9-2;3*1-2/h9H,3-6H2,1-2H3,(H,10,12);3*1-2H3
InChIKeyATBMFLWXCYXWLL-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide
CID 59766021
5-methyl-N-[2-(methylamino)ethyl]-4-oxohept-5-enamide
CID 177044189
5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide
CID 123850172
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide
CID 108537366
N-(4-hydroxybutyl)-4-oxopentanamide
CID 58331315
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide
CID 167491425
N-[3-(diethylamino)propyl]-4-oxopentanamide
CID 60638247
(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide
CID 170133551
6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
CID 20656550

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide?
The IUPAC name of ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide (CID 145117047) is ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide.
What is the SMILES notation for ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide?
The canonical SMILES for ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide is CC.CC.CC.CNCCNC(=O)CCC(C)=O.
What is the InChIKey of ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide?
The InChIKey is ATBMFLWXCYXWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.3C2H6/c1-7(11)3-4-8(12)10-6-5-9-2;3*1-2/h9H,3-6H2,1-2H3,(H,10,12);3*1-2H3.
What are the key properties of ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide?
ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide has a molecular weight of 262.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide is sourced from PubChem (CID 145117047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).