3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide

C30H27N3O4 — CID 4952004

IUPAC3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)C(C)Oc3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C30H27N3O4/c1-20-7-6-10-25(19-20)29(35)31-26-15-11-24(12-16-26)30(36)33-32-28(34)21(2)37-27-17-13-23(14-18-27)22-8-4-3-5-9-22/h3-19,21H,1-2H3,(H,31,35)(H,32,34)(H,33,36)
InChIKeyQICCNGAMMQHYIN-UHFFFAOYSA-N
MW493.56 g/mol
LogP5.14
Rot. Bonds7

About 3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide

3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide (PubChem CID 4952004) has the molecular formula C30H27N3O4 and a molecular weight of 493.56 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
PubChem CID4952004
Molecular FormulaC30H27N3O4
Molecular Weight493.56 g/mol
Exact Mass493.20
IUPAC Name3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)C(C)Oc3ccc(-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C30H27N3O4/c1-20-7-6-10-25(19-20)29(35)31-26-15-11-24(12-16-26)30(36)33-32-28(34)21(2)37-27-17-13-23(14-18-27)22-8-4-3-5-9-22/h3-19,21H,1-2H3,(H,31,35)(H,32,34)(H,33,36)
InChIKeyQICCNGAMMQHYIN-UHFFFAOYSA-N
XLogP5.14
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4951976
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
3-methyl-N-[4-[[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]carbamoyl]phenyl]butanamide
CID 42426777
3-methyl-N-[4-[[2-(2-nitrophenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4944222
4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide
CID 3631499
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073449
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
CID 9237504
3-methyl-N-[4-[[(4-propan-2-yloxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide
CID 4952353
3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477
N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4931723

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide (CID 4952004) is 3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)C(C)Oc3ccc(-c4ccccc4)cc3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide?
The InChIKey is QICCNGAMMQHYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4/c1-20-7-6-10-25(19-20)29(35)31-26-15-11-24(12-16-26)30(36)33-32-28(34)21(2)37-27-17-13-23(14-18-27)22-8-4-3-5-9-22/h3-19,21H,1-2H3,(H,31,35)(H,32,34)(H,33,36).
What are the key properties of 3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide?
3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide has a molecular weight of 493.56 g/mol, XLogP of 5.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 4952004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).