2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide

C23H30N2O3 — CID 41455603

IUPAC2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-23(2,3)18-12-9-17(10-13-18)11-14-21(26)25-20-8-6-5-7-19(20)22(27)24-15-16-28-4/h5-10,12-13H,11,14-16H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyRPKJGSXAJMGGTE-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.93
Rot. Bonds8

About 2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide

2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 41455603) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
PubChem CID41455603
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-23(2,3)18-12-9-17(10-13-18)11-14-21(26)25-20-8-6-5-7-19(20)22(27)24-15-16-28-4/h5-10,12-13H,11,14-16H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyRPKJGSXAJMGGTE-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
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-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 46686812
2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 99958293
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150400
tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
CID 65143006
3-(4-tert-butylphenyl)-N-(2-chlorophenyl)propanamide
CID 19221189
N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
CID 120604283
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-phenylethyl)benzamide;hydrochloride
CID 119676959
N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849
2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
CID 60836653
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide (CID 41455603) is 2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is RPKJGSXAJMGGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-23(2,3)18-12-9-17(10-13-18)11-14-21(26)25-20-8-6-5-7-19(20)22(27)24-15-16-28-4/h5-10,12-13H,11,14-16H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide?
2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 382.50 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-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 41455603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).