N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide

C11H21N3O2 — CID 2855495

IUPACN'-(hexan-2-ylideneamino)-N-propan-2-yloxamide
SMILESCCCCC(C)=NNC(=O)C(=O)NC(C)C
InChIInChI=1S/C11H21N3O2/c1-5-6-7-9(4)13-14-11(16)10(15)12-8(2)3/h8H,5-7H2,1-4H3,(H,12,15)(H,14,16)
InChIKeyGBRQREUYTDKQJA-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.19
Rot. Bonds5

About N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide

N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide (PubChem CID 2855495) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-(hexan-2-ylideneamino)-N-propan-2-yloxamide
PubChem CID2855495
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-(hexan-2-ylideneamino)-N-propan-2-yloxamide
SMILESCCCCC(C)=NNC(=O)C(=O)NC(C)C
InChIInChI=1S/C11H21N3O2/c1-5-6-7-9(4)13-14-11(16)10(15)12-8(2)3/h8H,5-7H2,1-4H3,(H,12,15)(H,14,16)
InChIKeyGBRQREUYTDKQJA-UHFFFAOYSA-N
XLogP1.19
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(undecan-2-ylideneamino)oxamide
CID 3097994
[(Z)-hexan-2-ylideneamino]urea
CID 6152474
N-(4-methylpentan-2-ylideneamino)pentanamide
CID 5150903
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-(hexan-2-ylideneamino)octanamide
CID 4148475
N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 6290649
N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
CID 94846566
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
3-methyl-N-(pentan-2-ylideneamino)butanamide
CID 4171993
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide
CID 4529616
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713

Frequently Asked Questions

What is the IUPAC name of N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide?
The IUPAC name of N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide (CID 2855495) is N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide.
What is the SMILES notation for N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide?
The canonical SMILES for N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide is CCCCC(C)=NNC(=O)C(=O)NC(C)C.
What is the InChIKey of N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide?
The InChIKey is GBRQREUYTDKQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-6-7-9(4)13-14-11(16)10(15)12-8(2)3/h8H,5-7H2,1-4H3,(H,12,15)(H,14,16).
What are the key properties of N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide?
N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide has a molecular weight of 227.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide is sourced from PubChem (CID 2855495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).