2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide

C14H20Cl2N2O — CID 79814263

IUPAC2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-14(17,5-2)13(19)18-9(3)10-6-7-11(15)12(16)8-10/h6-9H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyCTGUZBQCGVAZRW-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.69
Rot. Bonds5

About 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide

2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide (PubChem CID 79814263) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
PubChem CID79814263
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-14(17,5-2)13(19)18-9(3)10-6-7-11(15)12(16)8-10/h6-9H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyCTGUZBQCGVAZRW-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 79814759
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide
CID 79810224
2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119745685
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80543571
3-amino-4-[1-(3,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 64896143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide (CID 79814263) is 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide?
The InChIKey is CTGUZBQCGVAZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-4-14(17,5-2)13(19)18-9(3)10-6-7-11(15)12(16)8-10/h6-9H,4-5,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide?
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide has a molecular weight of 303.23 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 79814263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).