ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide

C17H38N2O2 — CID 176678762

IUPACethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide
SMILESCC.CCOCCNC(=O)C(C)(C)C(C)(C)CNC(C)C
InChIInChI=1S/C15H32N2O2.C2H6/c1-8-19-10-9-16-13(18)15(6,7)14(4,5)11-17-12(2)3;1-2/h12,17H,8-11H2,1-7H3,(H,16,18);1-2H3
InChIKeyBXSCVKAWBQFKLW-UHFFFAOYSA-N
MW302.50 g/mol
LogP3.22
Rot. Bonds9

About ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide

ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide (PubChem CID 176678762) has the molecular formula C17H38N2O2 and a molecular weight of 302.50 g/mol. Its IUPAC name is ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Nameethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide
PubChem CID176678762
Molecular FormulaC17H38N2O2
Molecular Weight302.50 g/mol
Exact Mass302.29
IUPAC Nameethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide
SMILESCC.CCOCCNC(=O)C(C)(C)C(C)(C)CNC(C)C
InChIInChI=1S/C15H32N2O2.C2H6/c1-8-19-10-9-16-13(18)15(6,7)14(4,5)11-17-12(2)3;1-2/h12,17H,8-11H2,1-7H3,(H,16,18);1-2H3
InChIKeyBXSCVKAWBQFKLW-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 53.22
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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Related Compounds

3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
CID 65264682
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
molecular hydrogen;2,2,3-trimethyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]butanamide
CID 156820426
2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
CID 170038260
3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79619564
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726303
2,2,2-tribromo-N-(3-ethoxypropyl)acetamide
CID 20741094
3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 155040585
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide?
The IUPAC name of ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide (CID 176678762) is ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide is CC.CCOCCNC(=O)C(C)(C)C(C)(C)CNC(C)C.
What is the InChIKey of ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide?
The InChIKey is BXSCVKAWBQFKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2.C2H6/c1-8-19-10-9-16-13(18)15(6,7)14(4,5)11-17-12(2)3;1-2/h12,17H,8-11H2,1-7H3,(H,16,18);1-2H3.
What are the key properties of ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide?
ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide has a molecular weight of 302.50 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethoxyethyl)-2,2,3,3-tetramethyl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 176678762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).