2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide

C24H38N4O5 — CID 123257241

IUPAC2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCC(C(Cc1ccccc1)C(=O)NC(C(=O)NCCN1CCOCC1)C(C)(C)C)N(O)C=O
InChIInChI=1S/C24H38N4O5/c1-18(28(32)17-29)20(16-19-8-6-5-7-9-19)22(30)26-21(24(2,3)4)23(31)25-10-11-27-12-14-33-15-13-27/h5-9,17-18,20-21,32H,10-16H2,1-4H3,(H,25,31)(H,26,30)
InChIKeyGPZKPBPYQCDGTC-UHFFFAOYSA-N
MW462.59 g/mol
LogP1.06
Rot. Bonds11

About 2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide

2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 123257241) has the molecular formula C24H38N4O5 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID123257241
Molecular FormulaC24H38N4O5
Molecular Weight462.59 g/mol
Exact Mass462.28
IUPAC Name2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCC(C(Cc1ccccc1)C(=O)NC(C(=O)NCCN1CCOCC1)C(C)(C)C)N(O)C=O
InChIInChI=1S/C24H38N4O5/c1-18(28(32)17-29)20(16-19-8-6-5-7-9-19)22(30)26-21(24(2,3)4)23(31)25-10-11-27-12-14-33-15-13-27/h5-9,17-18,20-21,32H,10-16H2,1-4H3,(H,25,31)(H,26,30)
InChIKeyGPZKPBPYQCDGTC-UHFFFAOYSA-N
XLogP1.06
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

2-[[2-[(4-chlorophenyl)methyl]-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 123941296
(2S)-N-[(2S)-3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-2-[(1R)-1-[formyl(hydroxy)amino]ethyl]-5-phenylpentanamide
CID 85472541
(2S,5R)-2-tert-butyl-5-[(1S)-1-[formyl(hydroxy)amino]ethyl]-N-(2-morpholin-4-ylethyl)-4-oxo-8-phenyloctanamide
CID 159421813
N-[3,3-dimethyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]-5-phenyl-2-[1-(phenylmethoxyamino)ethyl]pentanamide
CID 123695596
(2R)-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-N-[(2S)-1-(2-hydroxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-5-phenylpentanamide
CID 85472665
N-[1-[2-(dimethylamino)ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-5-phenylpentanamide
CID 118876979
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822
N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide
CID 133148925
(2R)-N-(2-morpholin-4-ylethyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 110205726
2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 110355487
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
(2R)-N-[(2S)-3,3-dimethyl-1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxybutanediamide
CID 88504399

Frequently Asked Questions

What is the IUPAC name of 2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide (CID 123257241) is 2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide is CC(C(Cc1ccccc1)C(=O)NC(C(=O)NCCN1CCOCC1)C(C)(C)C)N(O)C=O.
What is the InChIKey of 2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is GPZKPBPYQCDGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O5/c1-18(28(32)17-29)20(16-19-8-6-5-7-9-19)22(30)26-21(24(2,3)4)23(31)25-10-11-27-12-14-33-15-13-27/h5-9,17-18,20-21,32H,10-16H2,1-4H3,(H,25,31)(H,26,30).
What are the key properties of 2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 462.59 g/mol, XLogP of 1.06, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-benzyl-3-[formyl(hydroxy)amino]butanoyl]amino]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 123257241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).