N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide

C13H27N3O2 — CID 108522253

IUPACN'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
SMILESCCN(CC)CCNC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C13H27N3O2/c1-5-16(6-2)10-9-15-13(18)12(17)14-8-7-11(3)4/h11H,5-10H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyNDWNWKKCGUUVJN-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.61
Rot. Bonds8

About N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide

N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide (PubChem CID 108522253) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
PubChem CID108522253
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
SMILESCCN(CC)CCNC(=O)C(=O)NCCC(C)C
InChIInChI=1S/C13H27N3O2/c1-5-16(6-2)10-9-15-13(18)12(17)14-8-7-11(3)4/h11H,5-10H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyNDWNWKKCGUUVJN-UHFFFAOYSA-N
XLogP0.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.61
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'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide
CID 108505435
N-[2-(diethylamino)ethyl]-16-methylheptadecanamide
CID 87505331
N'-(3-methylbutyl)-N-pentyloxamide
CID 108521757
N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
CID 108531294
(2S)-4-[2-(diethylamino)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 114007114
propan-2-yl N-[2-(diethylamino)ethyl]carbamate
CID 116653752
N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
CID 43316024
N-[2-(diethylamino)ethyl]-2-(propan-2-ylamino)acetamide
CID 60843052
1,3-bis(3-methylbutyl)urea
CID 22563958
1-[2-(diethylamino)ethyl]-3-propan-2-ylthiourea
CID 44757629
3-amino-N-(3-methylbutyl)-2-oxohexanamide;ethane
CID 143418717
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
CID 61184562

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide (CID 108522253) is N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide is CCN(CC)CCNC(=O)C(=O)NCCC(C)C.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide?
The InChIKey is NDWNWKKCGUUVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-16(6-2)10-9-15-13(18)12(17)14-8-7-11(3)4/h11H,5-10H2,1-4H3,(H,14,17)(H,15,18).
What are the key properties of N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide?
N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide has a molecular weight of 257.38 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 108522253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).