N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide

C19H28ClN3O — CID 126799020

IUPACN-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC(c1ccc(Cl)cc1)C1CC2CCC(C1)N2C
InChIInChI=1S/C19H28ClN3O/c1-22(2)12-18(24)21-19(13-4-6-15(20)7-5-13)14-10-16-8-9-17(11-14)23(16)3/h4-7,14,16-17,19H,8-12H2,1-3H3,(H,21,24)
InChIKeyZQDPFYGOAMZIFN-UHFFFAOYSA-N
MW349.91 g/mol
LogP2.93
Rot. Bonds5

About N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide

N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide (PubChem CID 126799020) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide
PubChem CID126799020
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC NameN-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC(c1ccc(Cl)cc1)C1CC2CCC(C1)N2C
InChIInChI=1S/C19H28ClN3O/c1-22(2)12-18(24)21-19(13-4-6-15(20)7-5-13)14-10-16-8-9-17(11-14)23(16)3/h4-7,14,16-17,19H,8-12H2,1-3H3,(H,21,24)
InChIKeyZQDPFYGOAMZIFN-UHFFFAOYSA-N
XLogP2.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide (CID 126799020) is N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)NC(c1ccc(Cl)cc1)C1CC2CCC(C1)N2C.
What is the InChIKey of N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide?
The InChIKey is ZQDPFYGOAMZIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c1-22(2)12-18(24)21-19(13-4-6-15(20)7-5-13)14-10-16-8-9-17(11-14)23(16)3/h4-7,14,16-17,19H,8-12H2,1-3H3,(H,21,24).
What are the key properties of N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide?
N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide has a molecular weight of 349.91 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 126799020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).