2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide

C14H26N4O4 — CID 85054827

IUPAC2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide
SMILESCCCCCNC(=O)N1CC(=NOC)CC1C(=O)NCCO
InChIInChI=1S/C14H26N4O4/c1-3-4-5-6-16-14(21)18-10-11(17-22-2)9-12(18)13(20)15-7-8-19/h12,19H,3-10H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyIBWOAIHUHHQWTO-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.07
Rot. Bonds8

About 2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide

2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide (PubChem CID 85054827) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide
PubChem CID85054827
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Name2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide
SMILESCCCCCNC(=O)N1CC(=NOC)CC1C(=O)NCCO
InChIInChI=1S/C14H26N4O4/c1-3-4-5-6-16-14(21)18-10-11(17-22-2)9-12(18)13(20)15-7-8-19/h12,19H,3-10H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyIBWOAIHUHHQWTO-UHFFFAOYSA-N
XLogP0.07
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide
CID 142087777
(2S)-4-methoxyimino-1-N-pentyl-2-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 131725423
(2S)-2-N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxyphenyl)methoxyimino]-1-N-pentylpyrrolidine-1,2-dicarboxamide
CID 131725440
(2S)-4-[(3,4-dichlorophenyl)methoxyimino]-2-N-(2-hydroxy-2-phenylethyl)-1-N-pentylpyrrolidine-1,2-dicarboxamide
CID 152761687
(2S)-N-[2-(diethylamino)ethyl]-1-(2,2-diphenylacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 131726363
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
(2S)-N-(2-anilinoethyl)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 131725611
N-butyl-2-methylaziridine-1-carboxamide
CID 91621648
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2S)-N-benzyl-1-(2,2-diphenylacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 131725459
tert-butyl (2S)-2-(hexylcarbamoyl)azetidine-1-carboxylate
CID 58606947
(2S,4E)-N-(2-anilinoethyl)-4-methoxyimino-1-(4-pyridin-4-ylbenzoyl)pyrrolidine-2-carboxamide
CID 87752210

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide (CID 85054827) is 2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide is CCCCCNC(=O)N1CC(=NOC)CC1C(=O)NCCO.
What is the InChIKey of 2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide?
The InChIKey is IBWOAIHUHHQWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-3-4-5-6-16-14(21)18-10-11(17-22-2)9-12(18)13(20)15-7-8-19/h12,19H,3-10H2,1-2H3,(H,15,20)(H,16,21).
What are the key properties of 2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide?
2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-hydroxyethyl)-4-methoxyimino-1-N-pentylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 85054827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).