(3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide

C17H30N2O4 — CID 18830153

IUPAC(3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCOCCN(CCOC)C(=O)C12CCC(C)(/C(=N/O)C1)C2(C)C
InChIInChI=1S/C17H30N2O4/c1-15(2)16(3)6-7-17(15,12-13(16)18-21)14(20)19(8-10-22-4)9-11-23-5/h21H,6-12H2,1-5H3/b18-13+
InChIKeyLSHYEBNSRGCLQS-QGOAFFKASA-N
MW326.44 g/mol
LogP2.15
Rot. Bonds7

About (3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide

(3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 18830153) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID18830153
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name(3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCOCCN(CCOC)C(=O)C12CCC(C)(/C(=N/O)C1)C2(C)C
InChIInChI=1S/C17H30N2O4/c1-15(2)16(3)6-7-17(15,12-13(16)18-21)14(20)19(8-10-22-4)9-11-23-5/h21H,6-12H2,1-5H3/b18-13+
InChIKeyLSHYEBNSRGCLQS-QGOAFFKASA-N
XLogP2.15
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide (CID 18830153) is (3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide is COCCN(CCOC)C(=O)C12CCC(C)(/C(=N/O)C1)C2(C)C.
What is the InChIKey of (3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is LSHYEBNSRGCLQS-QGOAFFKASA-N. The full InChI is InChI=1S/C17H30N2O4/c1-15(2)16(3)6-7-17(15,12-13(16)18-21)14(20)19(8-10-22-4)9-11-23-5/h21H,6-12H2,1-5H3/b18-13+.
What are the key properties of (3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
(3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hydroxyimino-N,N-bis(2-methoxyethyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 18830153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).