N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide

C12H25N3O2 — CID 112991411

IUPACN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)NCCN(C)C
InChIInChI=1S/C12H25N3O2/c1-5-10(6-2)12(17)14-9-11(16)13-7-8-15(3)4/h10H,5-9H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyJYXBITSTYWKVNT-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.22
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide

N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide (PubChem CID 112991411) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide
PubChem CID112991411
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)NCCN(C)C
InChIInChI=1S/C12H25N3O2/c1-5-10(6-2)12(17)14-9-11(16)13-7-8-15(3)4/h10H,5-9H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyJYXBITSTYWKVNT-UHFFFAOYSA-N
XLogP0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-ethyl-N-[3-(2-ethylbutanoylamino)-2-oxopropyl]butanamide
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(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
2-amino-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
CID 56832115
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide
CID 112991542
N-[2-(dimethylamino)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)amino]acetamide
CID 126653210
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704264
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)pentanamide
CID 110355468
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
CID 110407235

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide (CID 112991411) is N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC(=O)NCCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide?
The InChIKey is JYXBITSTYWKVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-10(6-2)12(17)14-9-11(16)13-7-8-15(3)4/h10H,5-9H2,1-4H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide?
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide is sourced from PubChem (CID 112991411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).