N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide

C16H29N3O2 — CID 77052784

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
SMILESNC(CN(C(=O)C1CCCCCCC1)C1CCCC1)=NO
InChIInChI=1S/C16H29N3O2/c17-15(18-21)12-19(14-10-6-7-11-14)16(20)13-8-4-2-1-3-5-9-13/h13-14,21H,1-12H2,(H2,17,18)
InChIKeyMMRVLNPINJKYEW-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.86
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide (PubChem CID 77052784) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
PubChem CID77052784
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
SMILESNC(CN(C(=O)C1CCCCCCC1)C1CCCC1)=NO
InChIInChI=1S/C16H29N3O2/c17-15(18-21)12-19(14-10-6-7-11-14)16(20)13-8-4-2-1-3-5-9-13/h13-14,21H,1-12H2,(H2,17,18)
InChIKeyMMRVLNPINJKYEW-UHFFFAOYSA-N
XLogP2.86
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1,1-dioxothiane-2-carboxamide
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N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide
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N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide
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N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-5-methyloxolane-2-carboxamide
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N-(2-amino-2-oxoethyl)-N-piperidin-4-ylcyclopentanecarboxamide
CID 54923795
N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcyclopentanecarboxamide
CID 60801225
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
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2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide (CID 77052784) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide is NC(CN(C(=O)C1CCCCCCC1)C1CCCC1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide?
The InChIKey is MMRVLNPINJKYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c17-15(18-21)12-19(14-10-6-7-11-14)16(20)13-8-4-2-1-3-5-9-13/h13-14,21H,1-12H2,(H2,17,18).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide is sourced from PubChem (CID 77052784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).