N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide

C17H26N2O4 — CID 170400768

IUPACN-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
SMILESCCC(=O)NCCOCCOCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H26N2O4/c1-3-16(20)18-9-11-23-13-12-22-10-8-17(21)19-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHLGLMPZRGGUBRX-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.88
Rot. Bonds11

About N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide

N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide (PubChem CID 170400768) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
PubChem CID170400768
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC NameN-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
SMILESCCC(=O)NCCOCCOCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H26N2O4/c1-3-16(20)18-9-11-23-13-12-22-10-8-17(21)19-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHLGLMPZRGGUBRX-UHFFFAOYSA-N
XLogP1.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide 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

N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
CID 45255323
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]phenyl]propanamide
CID 153330481
N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
CID 4694962
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
N-[2-[2-[2-[2-[2-[2-[2-[2-(4-amino-3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide
CID 177194400
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-[2-(4-hydroxyanilino)-2-oxoethyl]propanamide
CID 59961348
N-(4-chlorophenyl)-3-ethoxypropanamide
CID 2972757

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide?
The IUPAC name of N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide (CID 170400768) is N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide?
The canonical SMILES for N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide is CCC(=O)NCCOCCOCCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide?
The InChIKey is HLGLMPZRGGUBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-16(20)18-9-11-23-13-12-22-10-8-17(21)19-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide?
N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide has a molecular weight of 322.40 g/mol, XLogP of 1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide is sourced from PubChem (CID 170400768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).