N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide

C11H22N2O2 — CID 167491425

IUPACN-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCNCC(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)8-12-6-7-13-11(15)5-4-10(3)14/h9,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyZJZRKMBAZWIDAM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.72
Rot. Bonds8

About N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide

N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide (PubChem CID 167491425) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide
PubChem CID167491425
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCNCC(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)8-12-6-7-13-11(15)5-4-10(3)14/h9,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyZJZRKMBAZWIDAM-UHFFFAOYSA-N
XLogP0.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
2-(2-methylpropylamino)ethylcarbamic acid
CID 90802590
2-methylpropyl N-[2-(4-oxopentanoylamino)ethyl]carbamate
CID 108574950
ethane;N-[2-(methylamino)ethyl]-4-oxopentanamide
CID 145117047
6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
CID 20656550
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-oxopentanamide
CID 108537366
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-(4-hydroxybutyl)-4-oxopentanamide
CID 58331315
N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide
CID 59766021
4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
CID 20668910
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide?
The IUPAC name of N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide (CID 167491425) is N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide.
What is the SMILES notation for N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide?
The canonical SMILES for N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide is CC(=O)CCC(=O)NCCNCC(C)C.
What is the InChIKey of N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide?
The InChIKey is ZJZRKMBAZWIDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)8-12-6-7-13-11(15)5-4-10(3)14/h9,12H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide?
N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide has a molecular weight of 214.31 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide is sourced from PubChem (CID 167491425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).