(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

C55H84N6O11 — CID 160750496

IUPAC(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
SMILESCCCC[C@H](CN(C)C=O)C(=O)N[C@H](C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)C(C)(C)C.CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)C(C)(C)C
InChIInChI=1S/C28H43N3O5.C27H41N3O6/c1-7-8-9-22(18-30(5)19-32)26(34)29-25(28(2,3)4)27(35)31-16-14-21(15-17-31)24(33)20-10-12-23(36-6)13-11-20;1-6-7-8-21(17-30(35)18-31)25(33)28-24(27(2,3)4)26(34)29-15-13-20(14-16-29)23(32)19-9-11-22(36-5)12-10-19/h10-13,19,21-22,25H,7-9,14-18H2,1-6H3,(H,29,34);9-12,18,20-21,24,35H,6-8,13-17H2,1-5H3,(H,28,33)/t22-,25-;21-,24-/m11/s1
InChIKeyRWTGHDRLUHISJE-KSTGMOTLSA-N
MW1005.31 g/mol
LogP6.84
Rot. Bonds24

About (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

(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 (PubChem CID 160750496) has the molecular formula C55H84N6O11 and a molecular weight of 1005.31 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160750496
Molecular FormulaC55H84N6O11
Molecular Weight1005.31 g/mol
Exact Mass1004.62
IUPAC Name(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
SMILESCCCC[C@H](CN(C)C=O)C(=O)N[C@H](C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)C(C)(C)C.CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)C(C)(C)C
InChIInChI=1S/C28H43N3O5.C27H41N3O6/c1-7-8-9-22(18-30(5)19-32)26(34)29-25(28(2,3)4)27(35)31-16-14-21(15-17-31)24(33)20-10-12-23(36-6)13-11-20;1-6-7-8-21(17-30(35)18-31)25(33)28-24(27(2,3)4)26(34)29-15-13-20(14-16-29)23(32)19-9-11-22(36-5)12-10-19/h10-13,19,21-22,25H,7-9,14-18H2,1-6H3,(H,29,34);9-12,18,20-21,24,35H,6-8,13-17H2,1-5H3,(H,28,33)/t22-,25-;21-,24-/m11/s1
InChIKeyRWTGHDRLUHISJE-KSTGMOTLSA-N
XLogP6.84
TPSA212.27 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001005.31
LogP ≤ 56.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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'}

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[2-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]-3,3-dimethylbutanoyl]piperidine-4-carboxylate
CID 22096255
2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane
CID 142043190
N-[1-[2-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide
CID 72567609
(2R)-N-[(2S)-1-(4-acetylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
CID 59921618
(2S)-N-[(2S)-3,3-dimethyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 122408081
N-(3,3-dimethyl-1-oxo-1-piperazin-1-ylbutan-2-yl)-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 20752901
(2R)-N-[3,3-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 90737405
(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N,3,3-trimethylbutanamide
CID 58628941
4-[1-[2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]piperidin-4-yl]oxy-N-methylbenzamide
CID 59979614
(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]-N-[(2S)-1-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide
CID 74220829
N-[1-[2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 72567596
(2R)-2-(cyclopentylmethyl)-N-[(2S)-1-[4-(4,7-difluoro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74221028

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCC[C@H](CN(C)C=O)C(=O)N[C@H](C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)C(C)(C)C.CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1)C(C)(C)C.
What is the InChIKey of (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?
The InChIKey is RWTGHDRLUHISJE-KSTGMOTLSA-N. The full InChI is InChI=1S/C28H43N3O5.C27H41N3O6/c1-7-8-9-22(18-30(5)19-32)26(34)29-25(28(2,3)4)27(35)31-16-14-21(15-17-31)24(33)20-10-12-23(36-6)13-11-20;1-6-7-8-21(17-30(35)18-31)25(33)28-24(27(2,3)4)26(34)29-15-13-20(14-16-29)23(32)19-9-11-22(36-5)12-10-19/h10-13,19,21-22,25H,7-9,14-18H2,1-6H3,(H,29,34);9-12,18,20-21,24,35H,6-8,13-17H2,1-5H3,(H,28,33)/t22-,25-;21-,24-/m11/s1.
What are the key properties of (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?
(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 has a molecular weight of 1005.31 g/mol, XLogP of 6.84, 24 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160750496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).