N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide

C23H30N2O3 — CID 108572898

IUPACN-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide
SMILESCc1ccc(OCCCC(=O)NCCNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-17(2)19-8-10-20(11-9-19)23(27)25-15-14-24-22(26)5-4-16-28-21-12-6-18(3)7-13-21/h6-13,17H,4-5,14-16H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyCUYRIZHBPVIBID-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.82
Rot. Bonds10

About N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide

N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide (PubChem CID 108572898) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide
PubChem CID108572898
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide
SMILESCc1ccc(OCCCC(=O)NCCNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-17(2)19-8-10-20(11-9-19)23(27)25-15-14-24-22(26)5-4-16-28-21-12-6-18(3)7-13-21/h6-13,17H,4-5,14-16H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyCUYRIZHBPVIBID-UHFFFAOYSA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.82
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

N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662
N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 110487301
3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541666
N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
CID 60966598
sodium 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 23698334
4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
CID 19207254
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541646
N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207272
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide (CID 108572898) is N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide is Cc1ccc(OCCCC(=O)NCCNC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide?
The InChIKey is CUYRIZHBPVIBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17(2)19-8-10-20(11-9-19)23(27)25-15-14-24-22(26)5-4-16-28-21-12-6-18(3)7-13-21/h6-13,17H,4-5,14-16H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide?
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide has a molecular weight of 382.50 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 108572898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).