1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide

C19H33N3O2 — CID 119767194

IUPAC1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1(NC(=O)CC2CC3CCC(C2)N3)CCCCC1
InChIInChI=1S/C19H33N3O2/c1-2-10-20-18(24)19(8-4-3-5-9-19)22-17(23)13-14-11-15-6-7-16(12-14)21-15/h14-16,21H,2-13H2,1H3,(H,20,24)(H,22,23)
InChIKeyUTZQQWMGDMXTHN-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.25
Rot. Bonds6

About 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide

1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide (PubChem CID 119767194) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide
PubChem CID119767194
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1(NC(=O)CC2CC3CCC(C2)N3)CCCCC1
InChIInChI=1S/C19H33N3O2/c1-2-10-20-18(24)19(8-4-3-5-9-19)22-17(23)13-14-11-15-6-7-16(12-14)21-15/h14-16,21H,2-13H2,1H3,(H,20,24)(H,22,23)
InChIKeyUTZQQWMGDMXTHN-UHFFFAOYSA-N
XLogP2.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide with MolForge

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Related Compounds

1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 119735695
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylcyclopropyl)acetamide
CID 115739552
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 79615256
1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide
CID 119767184
methyl 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-4-methylcyclohexane-1-carboxylate
CID 119733673
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119817816
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]acetamide
CID 119820379
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-propylpiperidine-3-carboxamide
CID 119763386
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820378
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105417257
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
CID 119782238
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 99696279

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide (CID 119767194) is 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide is CCCNC(=O)C1(NC(=O)CC2CC3CCC(C2)N3)CCCCC1.
What is the InChIKey of 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide?
The InChIKey is UTZQQWMGDMXTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-2-10-20-18(24)19(8-4-3-5-9-19)22-17(23)13-14-11-15-6-7-16(12-14)21-15/h14-16,21H,2-13H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide?
1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 119767194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).