3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane

C20H42N2O4 — CID 167448144

IUPAC3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane
SMILESCC.CCNC(=O)CCOCCNC(=O)CC(C)OCCC(C)(C)CC
InChIInChI=1S/C18H36N2O4.C2H6/c1-6-18(4,5)9-12-24-15(3)14-17(22)20-10-13-23-11-8-16(21)19-7-2;1-2/h15H,6-14H2,1-5H3,(H,19,21)(H,20,22);1-2H3
InChIKeyOYSRVTWIABDESG-UHFFFAOYSA-N
MW374.57 g/mol
LogP3.29
Rot. Bonds14

About 3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane

3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane (PubChem CID 167448144) has the molecular formula C20H42N2O4 and a molecular weight of 374.57 g/mol. Its IUPAC name is 3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane.

Molecular Properties

Compound Name3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane
PubChem CID167448144
Molecular FormulaC20H42N2O4
Molecular Weight374.57 g/mol
Exact Mass374.31
IUPAC Name3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane
SMILESCC.CCNC(=O)CCOCCNC(=O)CC(C)OCCC(C)(C)CC
InChIInChI=1S/C18H36N2O4.C2H6/c1-6-18(4,5)9-12-24-15(3)14-17(22)20-10-13-23-11-8-16(21)19-7-2;1-2/h15H,6-14H2,1-5H3,(H,19,21)(H,20,22);1-2H3
InChIKeyOYSRVTWIABDESG-UHFFFAOYSA-N
XLogP3.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
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-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]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-dimethylbutoxy)-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide;ethane
CID 178008284
3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169159102
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270
N-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide
CID 134387196
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
ethane;3-propoxy-N-propylpropanamide
CID 163269237
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
N-ethyl-3-[3-(propan-2-ylamino)propoxy]propanamide
CID 62342053
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane?
The IUPAC name of 3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane (CID 167448144) is 3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane.
What is the SMILES notation for 3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane?
The canonical SMILES for 3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane is CC.CCNC(=O)CCOCCNC(=O)CC(C)OCCC(C)(C)CC.
What is the InChIKey of 3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane?
The InChIKey is OYSRVTWIABDESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4.C2H6/c1-6-18(4,5)9-12-24-15(3)14-17(22)20-10-13-23-11-8-16(21)19-7-2;1-2/h15H,6-14H2,1-5H3,(H,19,21)(H,20,22);1-2H3.
What are the key properties of 3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane?
3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane has a molecular weight of 374.57 g/mol, XLogP of 3.29, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane is sourced from PubChem (CID 167448144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).