N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide

C30H29N3O3 — CID 42426923

IUPACN-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide
SMILESCC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C30H29N3O3/c1-3-28(36-25-19-13-21(2)14-20-25)30(35)33-27-12-8-7-11-26(27)29(34)32-24-17-15-23(16-18-24)31-22-9-5-4-6-10-22/h4-20,28,31H,3H2,1-2H3,(H,32,34)(H,33,35)/t28-/m1/s1
InChIKeyZWRBOILAJJKARA-MUUNZHRXSA-N
MW479.58 g/mol
LogP6.79
Rot. Bonds9

About N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide

N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide (PubChem CID 42426923) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide
PubChem CID42426923
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC NameN-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide
SMILESCC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C30H29N3O3/c1-3-28(36-25-19-13-21(2)14-20-25)30(35)33-27-12-8-7-11-26(27)29(34)32-24-17-15-23(16-18-24)31-22-9-5-4-6-10-22/h4-20,28,31H,3H2,1-2H3,(H,32,34)(H,33,35)/t28-/m1/s1
InChIKeyZWRBOILAJJKARA-MUUNZHRXSA-N
XLogP6.79
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide
CID 4929653
N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4942074
2-anilino-N-(4-butan-2-yloxyphenyl)benzamide
CID 54784852
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
4-[2-[2-(4-methylphenoxy)butanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4950203
N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 4944912
N-(2-benzoylphenyl)-2-(4-fluorophenoxy)butanamide
CID 132656695
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657473

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide (CID 42426923) is N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide is CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide?
The InChIKey is ZWRBOILAJJKARA-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-3-28(36-25-19-13-21(2)14-20-25)30(35)33-27-12-8-7-11-26(27)29(34)32-24-17-15-23(16-18-24)31-22-9-5-4-6-10-22/h4-20,28,31H,3H2,1-2H3,(H,32,34)(H,33,35)/t28-/m1/s1.
What are the key properties of N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide?
N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide has a molecular weight of 479.58 g/mol, XLogP of 6.79, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide is sourced from PubChem (CID 42426923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).