(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide

C27H42N4O4 — CID 91380940

IUPAC(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide
SMILESCC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)N(CC(C)C)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C27H42N4O4/c1-20(2)16-17-25(32)31(30(19-21(3)4)27(34)23-14-8-9-18-28-23)24(26(33)29-35)15-10-13-22-11-6-5-7-12-22/h5-7,10-13,20-21,23-24,28,35H,8-9,14-19H2,1-4H3,(H,29,33)/t23-,24-/m0/s1
InChIKeyXTMJKYRBYHXUDN-ZEQRLZLVSA-N
MW486.66 g/mol
LogP3.77
Rot. Bonds11

About (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide

(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide (PubChem CID 91380940) has the molecular formula C27H42N4O4 and a molecular weight of 486.66 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide
PubChem CID91380940
Molecular FormulaC27H42N4O4
Molecular Weight486.66 g/mol
Exact Mass486.32
IUPAC Name(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide
SMILESCC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)N(CC(C)C)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C27H42N4O4/c1-20(2)16-17-25(32)31(30(19-21(3)4)27(34)23-14-8-9-18-28-23)24(26(33)29-35)15-10-13-22-11-6-5-7-12-22/h5-7,10-13,20-21,23-24,28,35H,8-9,14-19H2,1-4H3,(H,29,33)/t23-,24-/m0/s1
InChIKeyXTMJKYRBYHXUDN-ZEQRLZLVSA-N
XLogP3.77
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide
CID 90818904
(2S)-2-[[(2-acetamidoacetyl)-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-N-[(2R)-oxan-2-yl]oxy-5-phenylpent-4-enamide
CID 90961848
(2S)-2-[[[(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-N-(oxan-2-yloxy)-5-phenylpent-4-enamide
CID 91307182
tert-butyl (2S)-2-[4-methylpentanoyl-[2-methylpropyl-[2-(2H-tetrazol-5-yl)acetyl]amino]amino]-5-phenylpent-4-enoate
CID 91254744
N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide
CID 91009155
(2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide
CID 93369841
tert-butyl (2S)-2-[3-cyclopentylpropanoyl-(2-methylpropylamino)amino]-5-phenylpent-4-enoate
CID 91581791
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921
(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
CID 104913230
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990
(2S,3R)-3-[[cyclopropylmethyl(methylsulfonyl)amino]carbamoyl]-N-hydroxy-5-methyl-2-(3-phenylprop-2-enyl)hexanamide
CID 173231639

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide?
The IUPAC name of (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide (CID 91380940) is (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide?
The canonical SMILES for (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide is CC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)N(CC(C)C)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide?
The InChIKey is XTMJKYRBYHXUDN-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H42N4O4/c1-20(2)16-17-25(32)31(30(19-21(3)4)27(34)23-14-8-9-18-28-23)24(26(33)29-35)15-10-13-22-11-6-5-7-12-22/h5-7,10-13,20-21,23-24,28,35H,8-9,14-19H2,1-4H3,(H,29,33)/t23-,24-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide?
(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide has a molecular weight of 486.66 g/mol, XLogP of 3.77, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide is sourced from PubChem (CID 91380940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).