4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide

C16H23N3O — CID 105364171

IUPAC4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC2CCN3CCC2C3)cc1
InChIInChI=1S/C16H23N3O/c1-2-17-16(20)12-3-5-14(6-4-12)18-15-8-10-19-9-7-13(15)11-19/h3-6,13,15,18H,2,7-11H2,1H3,(H,17,20)
InChIKeyUIZWMAZPDNSJGV-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.94
Rot. Bonds4

About 4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide

4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide (PubChem CID 105364171) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide
PubChem CID105364171
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC2CCN3CCC2C3)cc1
InChIInChI=1S/C16H23N3O/c1-2-17-16(20)12-3-5-14(6-4-12)18-15-8-10-19-9-7-13(15)11-19/h3-6,13,15,18H,2,7-11H2,1H3,(H,17,20)
InChIKeyUIZWMAZPDNSJGV-UHFFFAOYSA-N
XLogP1.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
CID 105364117
2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide
CID 105364118
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
N-ethyl-4-[(2-methoxycyclohexyl)amino]benzamide
CID 43787667
N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364289
N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
CID 43728562
N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363818
4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide
CID 110198056
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-N-methylbenzamide
CID 43121641
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455

Frequently Asked Questions

What is the IUPAC name of 4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide?
The IUPAC name of 4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide (CID 105364171) is 4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide.
What is the SMILES notation for 4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide?
The canonical SMILES for 4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide is CCNC(=O)c1ccc(NC2CCN3CCC2C3)cc1.
What is the InChIKey of 4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide?
The InChIKey is UIZWMAZPDNSJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-17-16(20)12-3-5-14(6-4-12)18-15-8-10-19-9-7-13(15)11-19/h3-6,13,15,18H,2,7-11H2,1H3,(H,17,20).
What are the key properties of 4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide?
4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide has a molecular weight of 273.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide is sourced from PubChem (CID 105364171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).