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

C19H33NO2 — CID 2927570

IUPAC4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C19H33NO2/c1-13(2)11-20(12-14(3)4)16(22)19-9-8-18(7,15(21)10-19)17(19,5)6/h13-14H,8-12H2,1-7H3
InChIKeyHNHQJGPQHLCTSC-UHFFFAOYSA-N
MW307.48 g/mol
LogP3.91
Rot. Bonds5

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

4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2927570) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2927570
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C19H33NO2/c1-13(2)11-20(12-14(3)4)16(22)19-9-8-18(7,15(21)10-19)17(19,5)6/h13-14H,8-12H2,1-7H3
InChIKeyHNHQJGPQHLCTSC-UHFFFAOYSA-N
XLogP3.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2927570) is 4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CC(C)CN(CC(C)C)C(=O)C12CCC(C)(C(=O)C1)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is HNHQJGPQHLCTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-13(2)11-20(12-14(3)4)16(22)19-9-8-18(7,15(21)10-19)17(19,5)6/h13-14H,8-12H2,1-7H3.
What are the key properties of 4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 307.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-N,N-bis(2-methylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2927570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).