N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane

C21H43N3O3 — CID 143772095

IUPACN'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane
SMILESCCC(C)C.CCCCCCCCCCCCNC(=O)C(=O)NCC(N)=O
InChIInChI=1S/C16H31N3O3.C5H12/c1-2-3-4-5-6-7-8-9-10-11-12-18-15(21)16(22)19-13-14(17)20;1-4-5(2)3/h2-13H2,1H3,(H2,17,20)(H,18,21)(H,19,22);5H,4H2,1-3H3
InChIKeyDHGDDOBFKHRJAK-UHFFFAOYSA-N
MW385.59 g/mol
LogP3.68
Rot. Bonds14

About N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane

N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane (PubChem CID 143772095) has the molecular formula C21H43N3O3 and a molecular weight of 385.59 g/mol. Its IUPAC name is N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane.

Molecular Properties

Compound NameN'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane
PubChem CID143772095
Molecular FormulaC21H43N3O3
Molecular Weight385.59 g/mol
Exact Mass385.33
IUPAC NameN'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane
SMILESCCC(C)C.CCCCCCCCCCCCNC(=O)C(=O)NCC(N)=O
InChIInChI=1S/C16H31N3O3.C5H12/c1-2-3-4-5-6-7-8-9-10-11-12-18-15(21)16(22)19-13-14(17)20;1-4-5(2)3/h2-13H2,1H3,(H2,17,20)(H,18,21)(H,19,22);5H,4H2,1-3H3
InChIKeyDHGDDOBFKHRJAK-UHFFFAOYSA-N
XLogP3.68
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.59
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 108521757
N'-[(2R)-butan-2-yl]-N-hexyloxamide
CID 126266523
N'-(3-chloropropyl)-N-pentyloxamide
CID 108513677
(2S)-2-amino-4-methylpentanoic acid;N'-hexyloxamide
CID 118123662
(E)-2,3-diamino-N-hexylprop-2-enamide
CID 89150750
6-(octylcarbamoylamino)hexanamide
CID 11833003
methyl 2-[6-[(2-methoxy-2-oxoacetyl)amino]hexylamino]-2-oxoacetate;N-octyl-N'-[6-[[2-(octylamino)-2-oxoacetyl]amino]hexyl]oxamide
CID 158140787
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
N-(2-amino-2-oxoethyl)pentanamide
CID 12878232

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane?
The IUPAC name of N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane (CID 143772095) is N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane.
What is the SMILES notation for N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane?
The canonical SMILES for N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane is CCC(C)C.CCCCCCCCCCCCNC(=O)C(=O)NCC(N)=O.
What is the InChIKey of N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane?
The InChIKey is DHGDDOBFKHRJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3.C5H12/c1-2-3-4-5-6-7-8-9-10-11-12-18-15(21)16(22)19-13-14(17)20;1-4-5(2)3/h2-13H2,1H3,(H2,17,20)(H,18,21)(H,19,22);5H,4H2,1-3H3.
What are the key properties of N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane?
N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane has a molecular weight of 385.59 g/mol, XLogP of 3.68, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane is sourced from PubChem (CID 143772095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).