N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide

C21H37N3O5 — CID 143403676

IUPACN-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide
SMILESCCCCC(C)CC(CN(O)C=O)C(=O)N1CCCC1C=O.CNC(=O)C1CC1
InChIInChI=1S/C16H28N2O4.C5H9NO/c1-3-4-6-13(2)9-14(10-17(22)12-20)16(21)18-8-5-7-15(18)11-19;1-6-5(7)4-2-3-4/h11-15,22H,3-10H2,1-2H3;4H,2-3H2,1H3,(H,6,7)
InChIKeyPZRWSOVMWXZZQM-UHFFFAOYSA-N
MW411.54 g/mol
LogP2.00
Rot. Bonds11

About N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide

N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide (PubChem CID 143403676) has the molecular formula C21H37N3O5 and a molecular weight of 411.54 g/mol. Its IUPAC name is N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide
PubChem CID143403676
Molecular FormulaC21H37N3O5
Molecular Weight411.54 g/mol
Exact Mass411.27
IUPAC NameN-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide
SMILESCCCCC(C)CC(CN(O)C=O)C(=O)N1CCCC1C=O.CNC(=O)C1CC1
InChIInChI=1S/C16H28N2O4.C5H9NO/c1-3-4-6-13(2)9-14(10-17(22)12-20)16(21)18-8-5-7-15(18)11-19;1-6-5(7)4-2-3-4/h11-15,22H,3-10H2,1-2H3;4H,2-3H2,1H3,(H,6,7)
InChIKeyPZRWSOVMWXZZQM-UHFFFAOYSA-N
XLogP2.00
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(6-oxo-1H-pyridin-2-yl)pyrrolidine-2-carboxamide
CID 58763262
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide
CID 16755320
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 25188984
1-[1-cyclohexyl-2-(2-formylpyrrolidin-1-yl)-2-oxoethyl]-3-methylurea;ethane;N-methylhexan-2-amine;2-oxopropanal
CID 143104242
N-[2-(6-formyl-5-azaspiro[2.4]heptane-5-carbonyl)hexyl]-N-hydroxyformamide
CID 145399161
N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide
CID 138641157
(2S)-N-[(Z)-C-[(1Z)-3-fluorobuta-1,3-dienyl]-N-hydroxycarbonimidoyl]-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 138641856
N-hydroxy-N-[(2S)-2-[2-(1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
CID 87636537
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 25189255
1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 162540477
N-[(2R)-2-[(2S)-2-formyl-2,5-dihydropyrrole-1-carbonyl]hexyl]-N-hydroxyformamide
CID 138641122
N-(5-fluoro-1-hydroxy-2-pyridinylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 89179653

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide?
The IUPAC name of N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide (CID 143403676) is N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide is CCCCC(C)CC(CN(O)C=O)C(=O)N1CCCC1C=O.CNC(=O)C1CC1.
What is the InChIKey of N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide?
The InChIKey is PZRWSOVMWXZZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4.C5H9NO/c1-3-4-6-13(2)9-14(10-17(22)12-20)16(21)18-8-5-7-15(18)11-19;1-6-5(7)4-2-3-4/h11-15,22H,3-10H2,1-2H3;4H,2-3H2,1H3,(H,6,7).
What are the key properties of N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide?
N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide has a molecular weight of 411.54 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-formylpyrrolidine-1-carbonyl)-4-methyloctyl]-N-hydroxyformamide;N-methylcyclopropanecarboxamide is sourced from PubChem (CID 143403676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).