N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide

C15H23ClN2O — CID 78791266

IUPACN-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-5-18(11-14(19)17-15(2,3)4)10-12-7-6-8-13(16)9-12/h6-9H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyHWWXJWSDZLBOGQ-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.08
Rot. Bonds5

About N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide

N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide (PubChem CID 78791266) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
PubChem CID78791266
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-5-18(11-14(19)17-15(2,3)4)10-12-7-6-8-13(16)9-12/h6-9H,5,10-11H2,1-4H3,(H,17,19)
InChIKeyHWWXJWSDZLBOGQ-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 51200030
2-[(3-aminophenyl)methyl-propylamino]-N-tert-butylacetamide
CID 43459726
2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 61486374
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814
N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113153579
2-[(3-chlorophenyl)methyl-ethylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52682345
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8796001
N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide
CID 84597413
N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide
CID 8794209

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide (CID 78791266) is N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide is CCN(CC(=O)NC(C)(C)C)Cc1cccc(Cl)c1.
What is the InChIKey of N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide?
The InChIKey is HWWXJWSDZLBOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-5-18(11-14(19)17-15(2,3)4)10-12-7-6-8-13(16)9-12/h6-9H,5,10-11H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide?
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide has a molecular weight of 282.81 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 78791266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).