3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane

C20H42N2O4 — CID 178008284

IUPAC3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane
SMILESCC.CC(C)NC(=O)CCOCCNC(=O)CC(C)OCCC(C)(C)C
InChIInChI=1S/C18H36N2O4.C2H6/c1-14(2)20-16(21)7-10-23-12-9-19-17(22)13-15(3)24-11-8-18(4,5)6;1-2/h14-15H,7-13H2,1-6H3,(H,19,22)(H,20,21);1-2H3
InChIKeyDOTYSPPBAKGHFW-UHFFFAOYSA-N
MW374.57 g/mol
LogP3.29
Rot. Bonds12

About 3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane

3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane (PubChem CID 178008284) has the molecular formula C20H42N2O4 and a molecular weight of 374.57 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane
PubChem CID178008284
Molecular FormulaC20H42N2O4
Molecular Weight374.57 g/mol
Exact Mass374.31
IUPAC Name3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane
SMILESCC.CC(C)NC(=O)CCOCCNC(=O)CC(C)OCCC(C)(C)C
InChIInChI=1S/C18H36N2O4.C2H6/c1-14(2)20-16(21)7-10-23-12-9-19-17(22)13-15(3)24-11-8-18(4,5)6;1-2/h14-15H,7-13H2,1-6H3,(H,19,22)(H,20,21);1-2H3
InChIKeyDOTYSPPBAKGHFW-UHFFFAOYSA-N
XLogP3.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane
CID 167448144
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide
CID 155795090
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169159102

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane?
The IUPAC name of 3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane (CID 178008284) is 3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane is CC.CC(C)NC(=O)CCOCCNC(=O)CC(C)OCCC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane?
The InChIKey is DOTYSPPBAKGHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4.C2H6/c1-14(2)20-16(21)7-10-23-12-9-19-17(22)13-15(3)24-11-8-18(4,5)6;1-2/h14-15H,7-13H2,1-6H3,(H,19,22)(H,20,21);1-2H3.
What are the key properties of 3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane?
3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane has a molecular weight of 374.57 g/mol, XLogP of 3.29, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane is sourced from PubChem (CID 178008284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).