4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide

C17H23N3O2 — CID 119456323

IUPAC4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C17H23N3O2/c1-11(21)18-10-12-2-4-13(5-3-12)17(22)20-16-8-14-6-7-15(9-16)19-14/h2-5,14-16,19H,6-10H2,1H3,(H,18,21)(H,20,22)
InChIKeyRFWITOXBOAKSKS-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.34
Rot. Bonds4

About 4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide

4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide (PubChem CID 119456323) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
PubChem CID119456323
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C17H23N3O2/c1-11(21)18-10-12-2-4-13(5-3-12)17(22)20-16-8-14-6-7-15(9-16)19-14/h2-5,14-16,19H,6-10H2,1H3,(H,18,21)(H,20,22)
InChIKeyRFWITOXBOAKSKS-UHFFFAOYSA-N
XLogP1.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
CID 119425557
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(propyl)amino]benzamide
CID 119459719
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide
CID 119458968
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 119457174

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide (CID 119456323) is 4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide is CC(=O)NCc1ccc(C(=O)NC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide?
The InChIKey is RFWITOXBOAKSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11(21)18-10-12-2-4-13(5-3-12)17(22)20-16-8-14-6-7-15(9-16)19-14/h2-5,14-16,19H,6-10H2,1H3,(H,18,21)(H,20,22).
What are the key properties of 4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide?
4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide has a molecular weight of 301.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide is sourced from PubChem (CID 119456323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).