2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide

C12H26N4O2 — CID 83120791

IUPAC2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCCNC(=O)N(C)C
InChIInChI=1S/C12H26N4O2/c1-6-16(7-2)11(17)10(3)13-8-9-14-12(18)15(4)5/h10,13H,6-9H2,1-5H3,(H,14,18)
InChIKeyZTQXSFJIOUBELQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.10
Rot. Bonds7

About 2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide

2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide (PubChem CID 83120791) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide
PubChem CID83120791
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCCNC(=O)N(C)C
InChIInChI=1S/C12H26N4O2/c1-6-16(7-2)11(17)10(3)13-8-9-14-12(18)15(4)5/h10,13H,6-9H2,1-5H3,(H,14,18)
InChIKeyZTQXSFJIOUBELQ-UHFFFAOYSA-N
XLogP0.10
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.10
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

N,N-diethyl-2-(3-fluoropropylamino)propanamide
CID 115731800
4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473350
2-[2-(carbamoylamino)ethylamino]-N,N-dimethylpropanamide
CID 83120649
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
N,N-dimethyl-2-(propylamino)propanamide
CID 43086179
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258
N,N-diethyl-2-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 65036216
N,N-diethyl-2-[3-(2-hydroxyethoxy)propylamino]propanamide
CID 114171795
N,N-diethyl-2-(2-piperidin-1-ylethylamino)propanamide
CID 54967472
ethyl 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60720402
N-[2-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116843

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide (CID 83120791) is 2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NCCNC(=O)N(C)C.
What is the InChIKey of 2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide?
The InChIKey is ZTQXSFJIOUBELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-6-16(7-2)11(17)10(3)13-8-9-14-12(18)15(4)5/h10,13H,6-9H2,1-5H3,(H,14,18).
What are the key properties of 2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide?
2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide has a molecular weight of 258.37 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylcarbamoylamino)ethylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 83120791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).