N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide

C21H26N2O3 — CID 17234372

IUPACN-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-5-22-21(25)17-6-10-18(11-7-17)23-20(24)15(4)26-19-12-8-16(9-13-19)14(2)3/h6-15H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyUZAOPUJPPGFZNP-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.97
Rot. Bonds7

About N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide

N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (PubChem CID 17234372) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
PubChem CID17234372
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-5-22-21(25)17-6-10-18(11-7-17)23-20(24)15(4)26-19-12-8-16(9-13-19)14(2)3/h6-15H,5H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyUZAOPUJPPGFZNP-UHFFFAOYSA-N
XLogP3.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17229797
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110
N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 17160633
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42121890
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218257
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953734

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (CID 17234372) is N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is CCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The InChIKey is UZAOPUJPPGFZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-22-21(25)17-6-10-18(11-7-17)23-20(24)15(4)26-19-12-8-16(9-13-19)14(2)3/h6-15H,5H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17234372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).