N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide

C24H24N2O4 — CID 24636992

IUPACN-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C(C)NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O4/c1-3-29-20-13-15-22(16-14-20)30-21-11-9-19(10-12-21)26-23(27)17(2)25-24(28)18-7-5-4-6-8-18/h4-17H,3H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyFLGPTKKFXUBSSQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.63
Rot. Bonds8

About N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide

N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 24636992) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
PubChem CID24636992
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)C(C)NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O4/c1-3-29-20-13-15-22(16-14-20)30-21-11-9-19(10-12-21)26-23(27)17(2)25-24(28)18-7-5-4-6-8-18/h4-17H,3H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyFLGPTKKFXUBSSQ-UHFFFAOYSA-N
XLogP4.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide
CID 49415661
2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 18159437
N-[(2R)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 40631438
(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide
CID 131859212
N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 124854866
propyl 4-(2-benzamidopropanoylamino)benzoate
CID 55339167
3-nitro-N-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 9138986
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate
CID 42898251
4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 55334963

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide (CID 24636992) is N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide is CCOc1ccc(Oc2ccc(NC(=O)C(C)NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is FLGPTKKFXUBSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-29-20-13-15-22(16-14-20)30-21-11-9-19(10-12-21)26-23(27)17(2)25-24(28)18-7-5-4-6-8-18/h4-17H,3H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide?
N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 24636992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).