N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C17H29NO4 — CID 662876

IUPACN,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOCCN(CCOC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C17H29NO4/c1-15(2)16(3)6-7-17(15,12-13(16)19)14(20)18(8-10-21-4)9-11-22-5/h6-12H2,1-5H3
InChIKeyJVOOYPUZPHNMON-UHFFFAOYSA-N
MW311.42 g/mol
LogP1.89
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 662876) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID662876
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC NameN,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOCCN(CCOC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C17H29NO4/c1-15(2)16(3)6-7-17(15,12-13(16)19)14(20)18(8-10-21-4)9-11-22-5/h6-12H2,1-5H3
InChIKeyJVOOYPUZPHNMON-UHFFFAOYSA-N
XLogP1.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 662876) is N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is COCCN(CCOC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is JVOOYPUZPHNMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-15(2)16(3)6-7-17(15,12-13(16)19)14(20)18(8-10-21-4)9-11-22-5/h6-12H2,1-5H3.
What are the key properties of N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 311.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 662876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).