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

C19H32N2O2 — CID 47029745

IUPACN-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)CCNC(=O)C1CCCC1)C2
InChIInChI=1S/C19H32N2O2/c1-18(2)14-8-10-19(18,3)15(12-14)21-16(22)9-11-20-17(23)13-6-4-5-7-13/h13-15H,4-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLETVHQBZFJREKX-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.01
Rot. Bonds5

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

N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide (PubChem CID 47029745) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide
PubChem CID47029745
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)CCNC(=O)C1CCCC1)C2
InChIInChI=1S/C19H32N2O2/c1-18(2)14-8-10-19(18,3)15(12-14)21-16(22)9-11-20-17(23)13-6-4-5-7-13/h13-15H,4-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLETVHQBZFJREKX-UHFFFAOYSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 659138
3-(4-ethylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 162655638
3-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 145990267
4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 162651863
3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 162664197
N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 6933183
N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 2817639
N~1~-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-N~6~-(2,7,7-trimethylbicyclo[2.2.1]hept-1-yl)hexanediamide
CID 3092151
N-(1,7,7-trimethylnorbornyl)propionamide
CID 60644682
(+/-)-N-[(1RS,2RS,4RS)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl]acetamide
CID 139062130
Acetamide, N-methyl-2-(methyl(2-oxo-3-bornyl)amino)-
CID 134821654
N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 220660

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide (CID 47029745) is N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide is CC1(C)C2CCC1(C)C(NC(=O)CCNC(=O)C1CCCC1)C2.
What is the InChIKey of N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide?
The InChIKey is LETVHQBZFJREKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-18(2)14-8-10-19(18,3)15(12-14)21-16(22)9-11-20-17(23)13-6-4-5-7-13/h13-15H,4-12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide?
N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide has a molecular weight of 320.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 47029745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).