N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

C20H29N3O2 — CID 119456473

IUPACN-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NC1CC2CCC(C1)N2)C(C)C
InChIInChI=1S/C20H29N3O2/c1-12(2)18(23-19(24)17-7-5-4-6-13(17)3)20(25)22-16-10-14-8-9-15(11-16)21-14/h4-7,12,14-16,18,21H,8-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKSAMFZZCURHMRI-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.15
Rot. Bonds5

About N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (PubChem CID 119456473) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
PubChem CID119456473
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NC1CC2CCC(C1)N2)C(C)C
InChIInChI=1S/C20H29N3O2/c1-12(2)18(23-19(24)17-7-5-4-6-13(17)3)20(25)22-16-10-14-8-9-15(11-16)21-14/h4-7,12,14-16,18,21H,8-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKSAMFZZCURHMRI-UHFFFAOYSA-N
XLogP2.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide with MolForge

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Related Compounds

2-methyl-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)butan-2-yl]benzamide;hydrochloride
CID 119450919
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119455708
N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide;hydrochloride
CID 119459362
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (2R)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 26006641
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 119459369
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119601989
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 119614272
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 93144997
2-methyl-N-[(2S)-3-methyl-1-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-1-oxobutan-2-yl]benzamide
CID 97346221
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propan-2-ylsulfanylbenzamide
CID 119458117
2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide
CID 119386986

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (CID 119456473) is N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(C(=O)NC1CC2CCC(C1)N2)C(C)C.
What is the InChIKey of N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The InChIKey is KSAMFZZCURHMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-12(2)18(23-19(24)17-7-5-4-6-13(17)3)20(25)22-16-10-14-8-9-15(11-16)21-14/h4-7,12,14-16,18,21H,8-11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide has a molecular weight of 343.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 119456473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).