N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide

C14H30N2O2 — CID 168740714

IUPACN-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide
SMILESCC(C)CNC(=O)CCCCNCCOC(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)11-16-14(17)7-5-6-8-15-9-10-18-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyCVDWNTJTOVVOKT-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.94
Rot. Bonds11

About N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide

N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide (PubChem CID 168740714) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide
PubChem CID168740714
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide
SMILESCC(C)CNC(=O)CCCCNCCOC(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)11-16-14(17)7-5-6-8-15-9-10-18-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyCVDWNTJTOVVOKT-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide?
The IUPAC name of N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide (CID 168740714) is N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide.
What is the SMILES notation for N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide?
The canonical SMILES for N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide is CC(C)CNC(=O)CCCCNCCOC(C)C.
What is the InChIKey of N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide?
The InChIKey is CVDWNTJTOVVOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)11-16-14(17)7-5-6-8-15-9-10-18-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide?
N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide has a molecular weight of 258.41 g/mol, XLogP of 1.94, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(2-propan-2-yloxyethylamino)pentanamide is sourced from PubChem (CID 168740714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).