N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide

C14H21Cl2N3O — CID 84597413

IUPACN-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-5-19(9-13(20)18-14(2,3)4)8-12-11(16)6-10(15)7-17-12/h6-7H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyABEBGEHONKIQOX-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.12
Rot. Bonds5

About N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide

N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide (PubChem CID 84597413) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide
PubChem CID84597413
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC NameN-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-5-19(9-13(20)18-14(2,3)4)8-12-11(16)6-10(15)7-17-12/h6-7H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyABEBGEHONKIQOX-UHFFFAOYSA-N
XLogP3.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
N-tert-butyl-2-(diethylamino)acetamide;hydrochloride
CID 138397018
N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide
CID 8794209
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8796001
N-tert-butyl-2-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetamide
CID 51291858
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 27202310
N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide
CID 107236595
3-[[2-[(4-chlorophenyl)methyl-ethylamino]acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 75445735
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
N-tert-butyl-2-[(4-cyano-2-fluorophenyl)methyl-ethylamino]acetamide
CID 36797986
N-(3,5-dichloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 55028442
2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 9039378

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide (CID 84597413) is N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide is CCN(CC(=O)NC(C)(C)C)Cc1ncc(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide?
The InChIKey is ABEBGEHONKIQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-5-19(9-13(20)18-14(2,3)4)8-12-11(16)6-10(15)7-17-12/h6-7H,5,8-9H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide?
N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide has a molecular weight of 318.25 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 84597413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).