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

C21H26N2O3 — CID 21173388

IUPAC2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide
SMILESCc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-15(2)22-21(25)18-7-4-5-8-19(18)23-20(24)9-6-14-26-17-12-10-16(3)11-13-17/h4-5,7-8,10-13,15H,6,9,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyPYUDYXSDBGARGQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.93
Rot. Bonds8

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

2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide (PubChem CID 21173388) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide
PubChem CID21173388
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide
SMILESCc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-15(2)22-21(25)18-7-4-5-8-19(18)23-20(24)9-6-14-26-17-12-10-16(3)11-13-17/h4-5,7-8,10-13,15H,6,9,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyPYUDYXSDBGARGQ-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.93
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,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide
CID 21368478
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 21367669
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
CID 21367326
methyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate
CID 19188564
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
2-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-propan-2-ylbenzamide
CID 21367609
2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945414

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide (CID 21173388) is 2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide is Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1.
What is the InChIKey of 2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is PYUDYXSDBGARGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)22-21(25)18-7-4-5-8-19(18)23-20(24)9-6-14-26-17-12-10-16(3)11-13-17/h4-5,7-8,10-13,15H,6,9,14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide?
2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 21173388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).