N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide

C30H29N3O3 — CID 4944912

IUPACN-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C30H29N3O3/c1-20-13-14-21(2)28(19-20)36-22(3)29(34)33-27-12-8-7-11-26(27)30(35)32-25-17-15-24(16-18-25)31-23-9-5-4-6-10-23/h4-19,22,31H,1-3H3,(H,32,35)(H,33,34)
InChIKeyUQHQGLAKGOKCJP-UHFFFAOYSA-N
MW479.58 g/mol
LogP6.71
Rot. Bonds8

About N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide

N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide (PubChem CID 4944912) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
PubChem CID4944912
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC NameN-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C30H29N3O3/c1-20-13-14-21(2)28(19-20)36-22(3)29(34)33-27-12-8-7-11-26(27)30(35)32-25-17-15-24(16-18-25)31-23-9-5-4-6-10-23/h4-19,22,31H,1-3H3,(H,32,35)(H,33,34)
InChIKeyUQHQGLAKGOKCJP-UHFFFAOYSA-N
XLogP6.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 56.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4942074
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 4944490
N-(3,4-dimethylphenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4944520
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide
CID 40866622
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 16793258
2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980902
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 9296809
N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide
CID 42426923

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide (CID 4944912) is N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide is Cc1ccc(C)c(OC(C)C(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)c1.
What is the InChIKey of N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The InChIKey is UQHQGLAKGOKCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-20-13-14-21(2)28(19-20)36-22(3)29(34)33-27-12-8-7-11-26(27)30(35)32-25-17-15-24(16-18-25)31-23-9-5-4-6-10-23/h4-19,22,31H,1-3H3,(H,32,35)(H,33,34).
What are the key properties of N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide has a molecular weight of 479.58 g/mol, XLogP of 6.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 4944912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).