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

C15H25NO3 — CID 2978930

IUPACN-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOCC(C)NC(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C15H25NO3/c1-10(9-19-5)16-12(18)15-7-6-14(4,11(17)8-15)13(15,2)3/h10H,6-9H2,1-5H3,(H,16,18)
InChIKeyDLFWTIZLQZDAOJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.92
Rot. Bonds4

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

N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2978930) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2978930
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCOCC(C)NC(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C15H25NO3/c1-10(9-19-5)16-12(18)15-7-6-14(4,11(17)8-15)13(15,2)3/h10H,6-9H2,1-5H3,(H,16,18)
InChIKeyDLFWTIZLQZDAOJ-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[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 N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2978930) is N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is COCC(C)NC(=O)C12CCC(C)(C(=O)C1)C2(C)C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is DLFWTIZLQZDAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(9-19-5)16-12(18)15-7-6-14(4,11(17)8-15)13(15,2)3/h10H,6-9H2,1-5H3,(H,16,18).
What are the key properties of N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2978930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).