N'-[(2R)-butan-2-yl]-N-hexyloxamide

C12H24N2O2 — CID 126266523

IUPACN'-[(2R)-butan-2-yl]-N-hexyloxamide
SMILESCCCCCCNC(=O)C(=O)N[C@H](C)CC
InChIInChI=1S/C12H24N2O2/c1-4-6-7-8-9-13-11(15)12(16)14-10(3)5-2/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)/t10-/m1/s1
InChIKeyPDTCEVSILPTZLP-SNVBAGLBSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds7

About N'-[(2R)-butan-2-yl]-N-hexyloxamide

N'-[(2R)-butan-2-yl]-N-hexyloxamide (PubChem CID 126266523) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-[(2R)-butan-2-yl]-N-hexyloxamide.

Molecular Properties

Compound NameN'-[(2R)-butan-2-yl]-N-hexyloxamide
PubChem CID126266523
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN'-[(2R)-butan-2-yl]-N-hexyloxamide
SMILESCCCCCCNC(=O)C(=O)N[C@H](C)CC
InChIInChI=1S/C12H24N2O2/c1-4-6-7-8-9-13-11(15)12(16)14-10(3)5-2/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)/t10-/m1/s1
InChIKeyPDTCEVSILPTZLP-SNVBAGLBSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(2R)-butan-2-yl]-N-hexyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-butan-2-yl-N-(3-hydroxypropyl)oxamide
CID 2914177
N,N'-diheptyloxamide
CID 3417538
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N'-(3-methylbutyl)-N-pentyloxamide
CID 108521757
N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane
CID 143772095
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide
CID 108505435
1-butan-2-yl-3-hexyl-2-methylguanidine
CID 110944622
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
N'-[(2S)-butan-2-yl]-N-(3-phenylpropyl)oxamide
CID 124506857
4-N-butan-2-yl-1-N-pentylbenzene-1,4-dicarboxamide
CID 109044091
1-N'-butan-2-yl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108971439

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-butan-2-yl]-N-hexyloxamide?
The IUPAC name of N'-[(2R)-butan-2-yl]-N-hexyloxamide (CID 126266523) is N'-[(2R)-butan-2-yl]-N-hexyloxamide.
What is the SMILES notation for N'-[(2R)-butan-2-yl]-N-hexyloxamide?
The canonical SMILES for N'-[(2R)-butan-2-yl]-N-hexyloxamide is CCCCCCNC(=O)C(=O)N[C@H](C)CC.
What is the InChIKey of N'-[(2R)-butan-2-yl]-N-hexyloxamide?
The InChIKey is PDTCEVSILPTZLP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-7-8-9-13-11(15)12(16)14-10(3)5-2/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)/t10-/m1/s1.
What are the key properties of N'-[(2R)-butan-2-yl]-N-hexyloxamide?
N'-[(2R)-butan-2-yl]-N-hexyloxamide has a molecular weight of 228.34 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-butan-2-yl]-N-hexyloxamide is sourced from PubChem (CID 126266523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).