2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide

C22H37N3O2 — CID 119637051

IUPAC2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide
SMILESO=C(CC1CCCCC1)NC1CCC(C(=O)N2CCC3CCC(C2)N3)CC1
InChIInChI=1S/C22H37N3O2/c26-21(14-16-4-2-1-3-5-16)24-18-8-6-17(7-9-18)22(27)25-13-12-19-10-11-20(15-25)23-19/h16-20,23H,1-15H2,(H,24,26)
InChIKeyMCPAGCOXUFPPPB-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.98
Rot. Bonds4

About 2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide

2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide (PubChem CID 119637051) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide
PubChem CID119637051
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide
SMILESO=C(CC1CCCCC1)NC1CCC(C(=O)N2CCC3CCC(C2)N3)CC1
InChIInChI=1S/C22H37N3O2/c26-21(14-16-4-2-1-3-5-16)24-18-8-6-17(7-9-18)22(27)25-13-12-19-10-11-20(15-25)23-19/h16-20,23H,1-15H2,(H,24,26)
InChIKeyMCPAGCOXUFPPPB-UHFFFAOYSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide with MolForge

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Related Compounds

2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide
CID 119541337
(1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 97381218
(4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81486762
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide
CID 119632663
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cycloheptylacetamide
CID 79607418
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119808786
methyl 2-[1-[4-[(2-piperidin-4-ylacetyl)amino]cyclohexanecarbonyl]piperidin-4-yl]acetate;hydrochloride
CID 67803341
(2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119365518
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 119456016
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-hydroxyacetamide
CID 143286863
2-(cyclohexylmethyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylbutan-1-one
CID 119637690
2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid
CID 119178723

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide (CID 119637051) is 2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide is O=C(CC1CCCCC1)NC1CCC(C(=O)N2CCC3CCC(C2)N3)CC1.
What is the InChIKey of 2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide?
The InChIKey is MCPAGCOXUFPPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c26-21(14-16-4-2-1-3-5-16)24-18-8-6-17(7-9-18)22(27)25-13-12-19-10-11-20(15-25)23-19/h16-20,23H,1-15H2,(H,24,26).
What are the key properties of 2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide?
2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide has a molecular weight of 375.56 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexyl]acetamide is sourced from PubChem (CID 119637051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).