N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide

C26H28N4O4 — CID 87199843

IUPACN-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide
SMILESO=C(CNCCc1ccccc1)NC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C26H28N4O4/c31-24(18-27-16-15-19-7-3-1-4-8-19)28-17-23(26(33)30-34)29-25(32)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-14,23,27,34H,15-18H2,(H,28,31)(H,29,32)(H,30,33)/t23-/m0/s1
InChIKeyBSNYCNHXVONDIB-QHCPKHFHSA-N
MW460.53 g/mol
LogP1.91
Rot. Bonds11

About N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide

N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide (PubChem CID 87199843) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide
PubChem CID87199843
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide
SMILESO=C(CNCCc1ccccc1)NC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C26H28N4O4/c31-24(18-27-16-15-19-7-3-1-4-8-19)28-17-23(26(33)30-34)29-25(32)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-14,23,27,34H,15-18H2,(H,28,31)(H,29,32)(H,30,33)/t23-/m0/s1
InChIKeyBSNYCNHXVONDIB-QHCPKHFHSA-N
XLogP1.91
TPSA119.56 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 51.91
H-Bond Donors ≤ 55
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'}

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Related Compounds

N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-[[2-(2-phenylethylamino)acetyl]amino]phenyl]benzamide
CID 87199606
N-[(2S)-1-(hydroxyamino)-3-[[2-[(2-methoxyphenyl)methylamino]acetyl]amino]-1-oxopropan-2-yl]-4-(2-phenylethynyl)benzamide;methane
CID 159360013
(4S)-5-oxo-4-[(4-phenylbenzoyl)amino]-5-(4-phenylbutylamino)pentanoic acid
CID 67332259
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
(4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid
CID 59696983
4-(4-ethylphenyl)-N-[(2S)-1-(hydroxyamino)-1-oxo-3-(propan-2-ylamino)propan-2-yl]benzamide
CID 59697433
N-[(2S)-1-(hydroxyamino)-3-[(2-morpholin-4-ylacetyl)amino]-1-oxopropan-2-yl]-4-(2-phenylethynyl)benzamide;methane
CID 158233602
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide
CID 59697016
N-[4-[[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]-4-phenylbenzamide
CID 87836455
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide (CID 87199843) is N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide is O=C(CNCCc1ccccc1)NC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide?
The InChIKey is BSNYCNHXVONDIB-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-24(18-27-16-15-19-7-3-1-4-8-19)28-17-23(26(33)30-34)29-25(32)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-14,23,27,34H,15-18H2,(H,28,31)(H,29,32)(H,30,33)/t23-/m0/s1.
What are the key properties of N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide?
N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide has a molecular weight of 460.53 g/mol, XLogP of 1.91, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(hydroxyamino)-1-oxo-3-[[2-(2-phenylethylamino)acetyl]amino]propan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 87199843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).