2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane

C27H43N3O6 — CID 142043190

IUPAC2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane
SMILESCC(C)C.CCCCC(CN(O)C=O)C(=O)NCC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H33N3O6.C4H10/c1-3-4-5-19(15-26(31)16-27)23(30)24-14-21(28)25-12-10-18(11-13-25)22(29)17-6-8-20(32-2)9-7-17;1-4(2)3/h6-9,16,18-19,31H,3-5,10-15H2,1-2H3,(H,24,30);4H,1-3H3
InChIKeyBVWPHRRRGXLPKD-UHFFFAOYSA-N
MW505.66 g/mol
LogP3.55
Rot. Bonds12

About 2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane

2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane (PubChem CID 142043190) has the molecular formula C27H43N3O6 and a molecular weight of 505.66 g/mol. Its IUPAC name is 2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane.

Molecular Properties

Compound Name2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane
PubChem CID142043190
Molecular FormulaC27H43N3O6
Molecular Weight505.66 g/mol
Exact Mass505.32
IUPAC Name2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane
SMILESCC(C)C.CCCCC(CN(O)C=O)C(=O)NCC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H33N3O6.C4H10/c1-3-4-5-19(15-26(31)16-27)23(30)24-14-21(28)25-12-10-18(11-13-25)22(29)17-6-8-20(32-2)9-7-17;1-4(2)3/h6-9,16,18-19,31H,3-5,10-15H2,1-2H3,(H,24,30);4H,1-3H3
InChIKeyBVWPHRRRGXLPKD-UHFFFAOYSA-N
XLogP3.55
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.66
LogP ≤ 53.55
H-Bond Donors ≤ 52
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

(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]hexanamide;(2R)-2-[[formyl(methyl)amino]methyl]-N-[(2S)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 160750496
N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 143426513
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 25188984
methyl 1-[2-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]-3,3-dimethylbutanoyl]piperidine-4-carboxylate
CID 22096255
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide
CID 87264455
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802
N-[1-[2-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide
CID 72567609
[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate
CID 130193111
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25473091

Frequently Asked Questions

What is the IUPAC name of 2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane?
The IUPAC name of 2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane (CID 142043190) is 2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane.
What is the SMILES notation for 2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane?
The canonical SMILES for 2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane is CC(C)C.CCCCC(CN(O)C=O)C(=O)NCC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane?
The InChIKey is BVWPHRRRGXLPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O6.C4H10/c1-3-4-5-19(15-26(31)16-27)23(30)24-14-21(28)25-12-10-18(11-13-25)22(29)17-6-8-20(32-2)9-7-17;1-4(2)3/h6-9,16,18-19,31H,3-5,10-15H2,1-2H3,(H,24,30);4H,1-3H3.
What are the key properties of 2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane?
2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane has a molecular weight of 505.66 g/mol, XLogP of 3.55, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane is sourced from PubChem (CID 142043190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).