N-[2-(butylamino)-2-oxoethyl]butanamide

C10H20N2O2 — CID 112990615

IUPACN-[2-(butylamino)-2-oxoethyl]butanamide
SMILESCCCCNC(=O)CNC(=O)CCC
InChIInChI=1S/C10H20N2O2/c1-3-5-7-11-10(14)8-12-9(13)6-4-2/h3-8H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyMMLKGSBXHXLBMR-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.82
Rot. Bonds7

About N-[2-(butylamino)-2-oxoethyl]butanamide

N-[2-(butylamino)-2-oxoethyl]butanamide (PubChem CID 112990615) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]butanamide
PubChem CID112990615
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-[2-(butylamino)-2-oxoethyl]butanamide
SMILESCCCCNC(=O)CNC(=O)CCC
InChIInChI=1S/C10H20N2O2/c1-3-5-7-11-10(14)8-12-9(13)6-4-2/h3-8H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyMMLKGSBXHXLBMR-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide
CID 112991542
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-butyl-2-(carbamoylamino)acetamide;propane
CID 142017204
2-[(2-bromoacetyl)amino]-N-butylacetamide
CID 82110073
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
[2-(butylamino)-2-oxoethyl]carbamothioic S-acid
CID 130217522
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119508003
methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate
CID 60521395
N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide
CID 176888939
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
N-(3-iodopropyl)butanamide
CID 114504418

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-2-oxoethyl]butanamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]butanamide (CID 112990615) is N-[2-(butylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]butanamide is CCCCNC(=O)CNC(=O)CCC.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]butanamide?
The InChIKey is MMLKGSBXHXLBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-5-7-11-10(14)8-12-9(13)6-4-2/h3-8H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]butanamide?
N-[2-(butylamino)-2-oxoethyl]butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 112990615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).