N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

C14H23NO3 — CID 4728638

IUPACN-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOCCCNC(=O)C12CCC(C1)C(C)(C)C2=O
InChIInChI=1S/C14H23NO3/c1-13(2)10-5-6-14(9-10,11(13)16)12(17)15-7-4-8-18-3/h10H,4-9H2,1-3H3,(H,15,17)
InChIKeyRDDFMKSGJKKRKW-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.53
Rot. Bonds5

About N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 4728638) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID4728638
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOCCCNC(=O)C12CCC(C1)C(C)(C)C2=O
InChIInChI=1S/C14H23NO3/c1-13(2)10-5-6-14(9-10,11(13)16)12(17)15-7-4-8-18-3/h10H,4-9H2,1-3H3,(H,15,17)
InChIKeyRDDFMKSGJKKRKW-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 4728638) is N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is COCCCNC(=O)C12CCC(C1)C(C)(C)C2=O.
What is the InChIKey of N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is RDDFMKSGJKKRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(2)10-5-6-14(9-10,11(13)16)12(17)15-7-4-8-18-3/h10H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 4728638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).