N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide

C18H36N2O4 — CID 156710702

IUPACN-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide
SMILESCCCCC(=O)NCC(C)(C)OCCC(C)(C)C(=O)NCCOC
InChIInChI=1S/C18H36N2O4/c1-7-8-9-15(21)20-14-18(4,5)24-12-10-17(2,3)16(22)19-11-13-23-6/h7-14H2,1-6H3,(H,19,22)(H,20,21)
InChIKeyIUCDGRWZQCIGPF-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.27
Rot. Bonds13

About N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide

N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide (PubChem CID 156710702) has the molecular formula C18H36N2O4 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide
PubChem CID156710702
Molecular FormulaC18H36N2O4
Molecular Weight344.50 g/mol
Exact Mass344.27
IUPAC NameN-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide
SMILESCCCCC(=O)NCC(C)(C)OCCC(C)(C)C(=O)NCCOC
InChIInChI=1S/C18H36N2O4/c1-7-8-9-15(21)20-14-18(4,5)24-12-10-17(2,3)16(22)19-11-13-23-6/h7-14H2,1-6H3,(H,19,22)(H,20,21)
InChIKeyIUCDGRWZQCIGPF-UHFFFAOYSA-N
XLogP2.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide 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

4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide
CID 166075571
N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
CID 162756252
N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide
CID 137393842
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-(2-ethoxy-2-methylpropyl)butanamide
CID 114944319
4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane
CID 166075570
4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol
CID 168959673
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide
CID 138517805
4-butoxy-4-methyl-N-propylpentanamide
CID 156884877
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
2,2-dimethyl-3-(pentanoylamino)propanoic acid
CID 81367765

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide?
The IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide (CID 156710702) is N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide?
The canonical SMILES for N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide is CCCCC(=O)NCC(C)(C)OCCC(C)(C)C(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide?
The InChIKey is IUCDGRWZQCIGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4/c1-7-8-9-15(21)20-14-18(4,5)24-12-10-17(2,3)16(22)19-11-13-23-6/h7-14H2,1-6H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide?
N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide has a molecular weight of 344.50 g/mol, XLogP of 2.27, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2-dimethyl-4-[2-methyl-1-(pentanoylamino)propan-2-yl]oxybutanamide is sourced from PubChem (CID 156710702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).