ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide

C17H38N2O2 — CID 156820591

IUPACethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide
SMILESCC.CCOCCCC(=O)NCCCCCCNC(C)C
InChIInChI=1S/C15H32N2O2.C2H6/c1-4-19-13-9-10-15(18)17-12-8-6-5-7-11-16-14(2)3;1-2/h14,16H,4-13H2,1-3H3,(H,17,18);1-2H3
InChIKeyWTIOGAUOLZAKDR-UHFFFAOYSA-N
MW302.50 g/mol
LogP3.50
Rot. Bonds13

About ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide

ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide (PubChem CID 156820591) has the molecular formula C17H38N2O2 and a molecular weight of 302.50 g/mol. Its IUPAC name is ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide.

Molecular Properties

Compound Nameethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide
PubChem CID156820591
Molecular FormulaC17H38N2O2
Molecular Weight302.50 g/mol
Exact Mass302.29
IUPAC Nameethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide
SMILESCC.CCOCCCC(=O)NCCCCCCNC(C)C
InChIInChI=1S/C15H32N2O2.C2H6/c1-4-19-13-9-10-15(18)17-12-8-6-5-7-11-16-14(2)3;1-2/h14,16H,4-13H2,1-3H3,(H,17,18);1-2H3
InChIKeyWTIOGAUOLZAKDR-UHFFFAOYSA-N
XLogP3.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 53.50
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 ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide?
The IUPAC name of ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide (CID 156820591) is ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide.
What is the SMILES notation for ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide?
The canonical SMILES for ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide is CC.CCOCCCC(=O)NCCCCCCNC(C)C.
What is the InChIKey of ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide?
The InChIKey is WTIOGAUOLZAKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2.C2H6/c1-4-19-13-9-10-15(18)17-12-8-6-5-7-11-16-14(2)3;1-2/h14,16H,4-13H2,1-3H3,(H,17,18);1-2H3.
What are the key properties of ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide?
ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide has a molecular weight of 302.50 g/mol, XLogP of 3.50, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-N-[6-(propan-2-ylamino)hexyl]butanamide is sourced from PubChem (CID 156820591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).