N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide

C14H30N2O2 — CID 162749870

IUPACN-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide
SMILESCC(C)NCCCCNC(=O)CCCOC(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)15-9-5-6-10-16-14(17)8-7-11-18-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyUAPKSCUJIRLACG-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.09
Rot. Bonds11

About N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide

N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide (PubChem CID 162749870) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide
PubChem CID162749870
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide
SMILESCC(C)NCCCCNC(=O)CCCOC(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)15-9-5-6-10-16-14(17)8-7-11-18-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyUAPKSCUJIRLACG-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide?
The IUPAC name of N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide (CID 162749870) is N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide.
What is the SMILES notation for N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide?
The canonical SMILES for N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide is CC(C)NCCCCNC(=O)CCCOC(C)C.
What is the InChIKey of N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide?
The InChIKey is UAPKSCUJIRLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)15-9-5-6-10-16-14(17)8-7-11-18-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide?
N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide has a molecular weight of 258.41 g/mol, XLogP of 2.09, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylamino)butyl]-4-propan-2-yloxybutanamide is sourced from PubChem (CID 162749870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).