2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide

C19H27ClN2O — CID 119723223

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C19H27ClN2O/c1-13(2)22(12-14-4-3-5-16(20)8-14)19(23)11-15-9-17-6-7-18(10-15)21-17/h3-5,8,13,15,17-18,21H,6-7,9-12H2,1-2H3
InChIKeyVDXSYUFVMNMUAV-UHFFFAOYSA-N
MW334.89 g/mol
LogP4.00
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide (PubChem CID 119723223) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
PubChem CID119723223
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C19H27ClN2O/c1-13(2)22(12-14-4-3-5-16(20)8-14)19(23)11-15-9-17-6-7-18(10-15)21-17/h3-5,8,13,15,17-18,21H,6-7,9-12H2,1-2H3
InChIKeyVDXSYUFVMNMUAV-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
N-[(3-chlorophenyl)methyl]-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66426574
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 79610332
2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79854440
4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
N-[(3-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 78813337
N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119289277
N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 107067692
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119737517
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79473076
N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 86927045
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 119842534

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide (CID 119723223) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1cccc(Cl)c1)C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
The InChIKey is VDXSYUFVMNMUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-13(2)22(12-14-4-3-5-16(20)8-14)19(23)11-15-9-17-6-7-18(10-15)21-17/h3-5,8,13,15,17-18,21H,6-7,9-12H2,1-2H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide has a molecular weight of 334.89 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 119723223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).