N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide

C22H28N2O3 — CID 21368478

IUPACN,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C22H28N2O3/c1-4-24(5-2)22(26)19-9-6-7-10-20(19)23-21(25)11-8-16-27-18-14-12-17(3)13-15-18/h6-7,9-10,12-15H,4-5,8,11,16H2,1-3H3,(H,23,25)
InChIKeyPXPHBJSDEVEOSG-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.27
Rot. Bonds9

About N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide

N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide (PubChem CID 21368478) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide
PubChem CID21368478
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C22H28N2O3/c1-4-24(5-2)22(26)19-9-6-7-10-20(19)23-21(25)11-8-16-27-18-14-12-17(3)13-15-18/h6-7,9-10,12-15H,4-5,8,11,16H2,1-3H3,(H,23,25)
InChIKeyPXPHBJSDEVEOSG-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methylphenoxy)butanoylamino]-N-propan-2-ylbenzamide
CID 21173388
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide
CID 86835537
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
methyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate
CID 19188564
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 86835516
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
CID 21367326
N,N-diethyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119746610
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
2-[4-(4-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 21367669
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide?
The IUPAC name of N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide (CID 21368478) is N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide?
The canonical SMILES for N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide is CCN(CC)C(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide?
The InChIKey is PXPHBJSDEVEOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-24(5-2)22(26)19-9-6-7-10-20(19)23-21(25)11-8-16-27-18-14-12-17(3)13-15-18/h6-7,9-10,12-15H,4-5,8,11,16H2,1-3H3,(H,23,25).
What are the key properties of N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide?
N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 21368478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).