N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide

C23H29N3O4 — CID 72705315

IUPACN-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide
SMILESCCCC(CCC)C(=O)N[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O4/c1-3-8-17(9-4-2)21(27)25-20(16-10-6-5-7-11-16)23(29)24-19-14-12-18(13-15-19)22(28)26-30/h5-7,10-15,17,20,30H,3-4,8-9H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)/t20-/m0/s1
InChIKeyAYXIYXKIMUKEKQ-FQEVSTJZSA-N
MW411.50 g/mol
LogP3.82
Rot. Bonds10

About N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide

N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide (PubChem CID 72705315) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide
PubChem CID72705315
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide
SMILESCCCC(CCC)C(=O)N[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O4/c1-3-8-17(9-4-2)21(27)25-20(16-10-6-5-7-11-16)23(29)24-19-14-12-18(13-15-19)22(28)26-30/h5-7,10-15,17,20,30H,3-4,8-9H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)/t20-/m0/s1
InChIKeyAYXIYXKIMUKEKQ-FQEVSTJZSA-N
XLogP3.82
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(1S)-2-[4-(hydroxycarbamoyl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 171346842
N-(2-anilino-2-oxo-1-phenylethyl)-4-ethylbenzamide
CID 55726687
N-hydroxy-4-[(4-methoxy-2-phenylbutanoyl)amino]benzamide
CID 53257584
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide
CID 82984600
4-fluoro-N-[(1S)-2-[4-(hydroxyamino)anilino]-2-oxo-1-phenylethyl]benzamide
CID 72705119
N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide
CID 177461026
N-(2-anilino-2-oxo-1-phenylethyl)-4-(diethylaminomethyl)benzamide
CID 55779074
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
N-(2-bromo-1-phenylethyl)-2-propylpentanamide
CID 82987102
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]benzoic acid
CID 172731528
4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 977275
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide?
The IUPAC name of N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide (CID 72705315) is N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide?
The canonical SMILES for N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide is CCCC(CCC)C(=O)N[C@H](C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1.
What is the InChIKey of N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide?
The InChIKey is AYXIYXKIMUKEKQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-8-17(9-4-2)21(27)25-20(16-10-6-5-7-11-16)23(29)24-19-14-12-18(13-15-19)22(28)26-30/h5-7,10-15,17,20,30H,3-4,8-9H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)/t20-/m0/s1.
What are the key properties of N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide?
N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.82, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(2S)-2-phenyl-2-(2-propylpentanoylamino)acetyl]amino]benzamide is sourced from PubChem (CID 72705315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).