4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

C30H35N3O5 — CID 87356310

IUPAC4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCN(C)C(=O)c1ccc(C(O)(c2ccccc2)c2ccc(C(=O)NCCCCCCC(=O)NO)cc2)cc1
InChIInChI=1S/C30H35N3O5/c1-33(2)29(36)23-15-19-26(20-16-23)30(37,24-10-6-5-7-11-24)25-17-13-22(14-18-25)28(35)31-21-9-4-3-8-12-27(34)32-38/h5-7,10-11,13-20,37-38H,3-4,8-9,12,21H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyNNSZWLSWUJJUNW-UHFFFAOYSA-N
MW517.63 g/mol
LogP3.86
Rot. Bonds12

About 4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 87356310) has the molecular formula C30H35N3O5 and a molecular weight of 517.63 g/mol. Its IUPAC name is 4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID87356310
Molecular FormulaC30H35N3O5
Molecular Weight517.63 g/mol
Exact Mass517.26
IUPAC Name4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESCN(C)C(=O)c1ccc(C(O)(c2ccccc2)c2ccc(C(=O)NCCCCCCC(=O)NO)cc2)cc1
InChIInChI=1S/C30H35N3O5/c1-33(2)29(36)23-15-19-26(20-16-23)30(37,24-10-6-5-7-11-24)25-17-13-22(14-18-25)28(35)31-21-9-4-3-8-12-27(34)32-38/h5-7,10-11,13-20,37-38H,3-4,8-9,12,21H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyNNSZWLSWUJJUNW-UHFFFAOYSA-N
XLogP3.86
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[trans-4-(3-Amino-3-Oxopropyl)-4-Phenylcyclohexyl]-N-Cyclopropyl-4-[(1s)-2,2,2-Trifluoro-1-Hydroxy-1-Methylethyl]benzamide
CID 25019309
Cyclohexyl benzamide derivative, 9
CID 15986762
N-[4-(2-carbamoylethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987397
N-benzyl-N-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10271742
2'-Phenethylcarbamoyl-biphenyl-2-carboxylic acid
CID 823506
2'-(2-Fluoro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431342
N-benzhydryl-4-(hydroxymethyl)benzamide
CID 2451102
N-ethyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide
CID 1050416
N-methyl-N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11632811
4-[[(4-Phenylbenzoyl)amino]methyl]benzoic acid
CID 17171912
4-((4-tert-Butylbenzamido)methyl)benzoic acid
CID 17360242
2-{[2-(4-Hydroxy-phenyl)-ethylamino]-methyl}-N-(4-p-tolyl-butyl)-benzamide
CID 23544131

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of 4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 87356310) is 4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is CN(C)C(=O)c1ccc(C(O)(c2ccccc2)c2ccc(C(=O)NCCCCCCC(=O)NO)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is NNSZWLSWUJJUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O5/c1-33(2)29(36)23-15-19-26(20-16-23)30(37,24-10-6-5-7-11-24)25-17-13-22(14-18-25)28(35)31-21-9-4-3-8-12-27(34)32-38/h5-7,10-11,13-20,37-38H,3-4,8-9,12,21H2,1-2H3,(H,31,35)(H,32,34).
What are the key properties of 4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide?
4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 517.63 g/mol, XLogP of 3.86, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylcarbamoyl)phenyl]-hydroxy-phenylmethyl]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 87356310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).