N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide

C23H35N3O2 — CID 143812159

IUPACN-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)NC2CCCCC2)C1)NC12CC3CC4CC(C1)C32C4
InChIInChI=1S/C23H35N3O2/c27-20(25-22-12-17-8-16-9-18(13-22)23(17,22)11-16)10-15-6-7-26(14-15)21(28)24-19-4-2-1-3-5-19/h15-19H,1-14H2,(H,24,28)(H,25,27)
InChIKeyXLIOHRAEJILXJJ-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.44
Rot. Bonds4

About N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide

N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide (PubChem CID 143812159) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide
PubChem CID143812159
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)NC2CCCCC2)C1)NC12CC3CC4CC(C1)C32C4
InChIInChI=1S/C23H35N3O2/c27-20(25-22-12-17-8-16-9-18(13-22)23(17,22)11-16)10-15-6-7-26(14-15)21(28)24-19-4-2-1-3-5-19/h15-19H,1-14H2,(H,24,28)(H,25,27)
InChIKeyXLIOHRAEJILXJJ-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide
CID 62061626
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218392
(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
CID 115301653
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119483653
3-amino-N-cyclohexyl-5-methylpiperidine-1-carboxamide
CID 79993898

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide (CID 143812159) is N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide is O=C(CC1CCN(C(=O)NC2CCCCC2)C1)NC12CC3CC4CC(C1)C32C4.
What is the InChIKey of N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is XLIOHRAEJILXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c27-20(25-22-12-17-8-16-9-18(13-22)23(17,22)11-16)10-15-6-7-26(14-15)21(28)24-19-4-2-1-3-5-19/h15-19H,1-14H2,(H,24,28)(H,25,27).
What are the key properties of N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide?
N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-oxo-2-(5-tetracyclo[5.2.1.03,8.05,8]decanylamino)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 143812159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).