N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide

C12H25N3O2 — CID 108505435

IUPACN'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide
SMILESCCC(C)NC(=O)C(=O)NCCN(CC)CC
InChIInChI=1S/C12H25N3O2/c1-5-10(4)14-12(17)11(16)13-8-9-15(6-2)7-3/h10H,5-9H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyVULVDMTVQLSXRC-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.36
Rot. Bonds7

About N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide

N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide (PubChem CID 108505435) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide
PubChem CID108505435
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide
SMILESCCC(C)NC(=O)C(=O)NCCN(CC)CC
InChIInChI=1S/C12H25N3O2/c1-5-10(4)14-12(17)11(16)13-8-9-15(6-2)7-3/h10H,5-9H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyVULVDMTVQLSXRC-UHFFFAOYSA-N
XLogP0.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
CID 108522253
N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
CID 43316024
N'-butan-2-yl-N-(3-hydroxypropyl)oxamide
CID 2914177
N'-[(2R)-butan-2-yl]-N-hexyloxamide
CID 126266523
1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea
CID 44757629
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
CID 61184562
propan-2-yl N-[2-(diethylamino)ethyl]carbamate
CID 116653752
2-[2-(diethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
CID 16789059
N-[2-(diethylamino)ethyl]-2-(propan-2-ylamino)acetamide
CID 60843052
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
N'-butan-2-yl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108505526
N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
CID 124506857

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide?
The IUPAC name of N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide (CID 108505435) is N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide.
What is the SMILES notation for N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide?
The canonical SMILES for N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide is CCC(C)NC(=O)C(=O)NCCN(CC)CC.
What is the InChIKey of N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide?
The InChIKey is VULVDMTVQLSXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-10(4)14-12(17)11(16)13-8-9-15(6-2)7-3/h10H,5-9H2,1-4H3,(H,13,16)(H,14,17).
What are the key properties of N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide?
N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide has a molecular weight of 243.35 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide is sourced from PubChem (CID 108505435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).