4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide

C13H28N2O2 — CID 162749892

IUPAC4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
SMILESCCOCCCC(=O)NCCCCNC(C)C
InChIInChI=1S/C13H28N2O2/c1-4-17-11-7-8-13(16)15-10-6-5-9-14-12(2)3/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyAIMHGAZKVCAGNB-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.70
Rot. Bonds11

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

4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide (PubChem CID 162749892) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
PubChem CID162749892
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
SMILESCCOCCCC(=O)NCCCCNC(C)C
InChIInChI=1S/C13H28N2O2/c1-4-17-11-7-8-13(16)15-10-6-5-9-14-12(2)3/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyAIMHGAZKVCAGNB-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.70
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 4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide?
The IUPAC name of 4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide (CID 162749892) is 4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide is CCOCCCC(=O)NCCCCNC(C)C.
What is the InChIKey of 4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide?
The InChIKey is AIMHGAZKVCAGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-17-11-7-8-13(16)15-10-6-5-9-14-12(2)3/h12,14H,4-11H2,1-3H3,(H,15,16).
What are the key properties of 4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide?
4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide has a molecular weight of 244.38 g/mol, XLogP of 1.70, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide is sourced from PubChem (CID 162749892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).