N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide

C17H25N3O — CID 43728562

IUPACN-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC2CC3CCC(C2)N3C)cc1
InChIInChI=1S/C17H25N3O/c1-3-18-17(21)12-4-6-13(7-5-12)19-14-10-15-8-9-16(11-14)20(15)2/h4-7,14-16,19H,3,8-11H2,1-2H3,(H,18,21)
InChIKeyDQUPOCGFLYEGKX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.47
Rot. Bonds4

About N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide

N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide (PubChem CID 43728562) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
PubChem CID43728562
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
SMILESCCNC(=O)c1ccc(NC2CC3CCC(C2)N3C)cc1
InChIInChI=1S/C17H25N3O/c1-3-18-17(21)12-4-6-13(7-5-12)19-14-10-15-8-9-16(11-14)20(15)2/h4-7,14-16,19H,3,8-11H2,1-2H3,(H,18,21)
InChIKeyDQUPOCGFLYEGKX-UHFFFAOYSA-N
XLogP2.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942728
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide
CID 43711137
4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide
CID 105364171
N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide
CID 43742532
4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61074514
4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61019144
N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide
CID 43672871
N-ethyl-4-[(2-methoxycyclohexyl)amino]benzamide
CID 43787667

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide?
The IUPAC name of N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide (CID 43728562) is N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide.
What is the SMILES notation for N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide?
The canonical SMILES for N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide is CCNC(=O)c1ccc(NC2CC3CCC(C2)N3C)cc1.
What is the InChIKey of N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide?
The InChIKey is DQUPOCGFLYEGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-18-17(21)12-4-6-13(7-5-12)19-14-10-15-8-9-16(11-14)20(15)2/h4-7,14-16,19H,3,8-11H2,1-2H3,(H,18,21).
What are the key properties of N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide?
N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide has a molecular weight of 287.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide is sourced from PubChem (CID 43728562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).