4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide

C21H31N3O2 — CID 119738252

IUPAC4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C21H31N3O2/c1-4-21(2,3)24-20(26)15-5-7-16(8-6-15)23-19(25)13-14-11-17-9-10-18(12-14)22-17/h5-8,14,17-18,22H,4,9-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyCBHYKXPHRVHRCC-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.46
Rot. Bonds6

About 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide

4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 119738252) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID119738252
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C21H31N3O2/c1-4-21(2,3)24-20(26)15-5-7-16(8-6-15)23-19(25)13-14-11-17-9-10-18(12-14)22-17/h5-8,14,17-18,22H,4,9-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyCBHYKXPHRVHRCC-UHFFFAOYSA-N
XLogP3.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide with MolForge

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Related Compounds

N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738250
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 119740957
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide
CID 79609820
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868270
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 119697637
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
CID 119709596
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 119738014

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide (CID 119738252) is 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is CBHYKXPHRVHRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-4-21(2,3)24-20(26)15-5-7-16(8-6-15)23-19(25)13-14-11-17-9-10-18(12-14)22-17/h5-8,14,17-18,22H,4,9-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide?
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 357.50 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 119738252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).