2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide

C18H32N2O2 — CID 134018229

IUPAC2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C18H32N2O2/c1-16(2,3)15(22)19-10-8-14(21)20-13-11-12-7-9-18(13,6)17(12,4)5/h12-13H,7-11H2,1-6H3,(H,19,22)(H,20,21)
InChIKeyBHQFEFQZFSNSSK-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.87
Rot. Bonds4

About 2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide

2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide (PubChem CID 134018229) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide
PubChem CID134018229
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C18H32N2O2/c1-16(2,3)15(22)19-10-8-14(21)20-13-11-12-7-9-18(13,6)17(12,4)5/h12-13H,7-11H2,1-6H3,(H,19,22)(H,20,21)
InChIKeyBHQFEFQZFSNSSK-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide with MolForge

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Related Compounds

N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide
CID 47029745
3-(propan-2-ylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 60853984
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoic acid
CID 906419
dimethyl-[3-oxo-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propyl]azanium
CID 23350702
dimethyl-[3-oxo-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propyl]azanium
CID 7376088
4-oxo-4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoate
CID 40569957
3-(dimethylamino)-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 917528
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
2-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 119264698
1-(2-fluoroethyl)-3-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 124541692
3-propan-2-yloxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 71942366
ethyl 4-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butanoate
CID 60660753

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide (CID 134018229) is 2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide is CC(C)(C)C(=O)NCCC(=O)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide?
The InChIKey is BHQFEFQZFSNSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-16(2,3)15(22)19-10-8-14(21)20-13-11-12-7-9-18(13,6)17(12,4)5/h12-13H,7-11H2,1-6H3,(H,19,22)(H,20,21).
What are the key properties of 2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide?
2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide has a molecular weight of 308.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide is sourced from PubChem (CID 134018229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).