N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide

C13H26N2O3 — CID 21307046

IUPACN-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide
SMILESCCCCCC(=O)NCCN(C=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-5-6-7-8-12(17)14-9-10-15(11-16)18-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,17)
InChIKeyBDRSQRUQTNFJNE-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.87
Rot. Bonds9

About N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide

N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide (PubChem CID 21307046) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide.

Molecular Properties

Compound NameN-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide
PubChem CID21307046
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide
SMILESCCCCCC(=O)NCCN(C=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-5-6-7-8-12(17)14-9-10-15(11-16)18-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,17)
InChIKeyBDRSQRUQTNFJNE-UHFFFAOYSA-N
XLogP1.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide 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

3-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid
CID 21306999
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
tert-butyl 3-(hexanoylamino)propanoate
CID 23084068
N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
CID 101386033
N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
acetic acid;N-[2-[bis[2-(octadecanoylamino)ethyl]carbamoyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide
CID 154734795
N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
CID 90956908
N-[2-[2-(hexadecanoylamino)ethyl-[2-(4-oxobutanoylamino)ethyl]amino]ethyl]hexadecanamide
CID 58422822
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214

Frequently Asked Questions

What is the IUPAC name of N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide?
The IUPAC name of N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide (CID 21307046) is N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide.
What is the SMILES notation for N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide?
The canonical SMILES for N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide is CCCCCC(=O)NCCN(C=O)OC(C)(C)C.
What is the InChIKey of N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide?
The InChIKey is BDRSQRUQTNFJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-6-7-8-12(17)14-9-10-15(11-16)18-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,17).
What are the key properties of N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide?
N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide has a molecular weight of 258.36 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide is sourced from PubChem (CID 21307046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).