2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide

C14H20Cl2N2O — CID 76894842

IUPAC2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H20Cl2N2O/c1-14(2,3)12(17)13(19)18(4)8-9-5-10(15)7-11(16)6-9/h5-7,12H,8,17H2,1-4H3
InChIKeyMURMHNDKJBLPNJ-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.33
Rot. Bonds3

About 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide

2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide (PubChem CID 76894842) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
PubChem CID76894842
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H20Cl2N2O/c1-14(2,3)12(17)13(19)18(4)8-9-5-10(15)7-11(16)6-9/h5-7,12H,8,17H2,1-4H3
InChIKeyMURMHNDKJBLPNJ-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
CID 54872585
(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
CID 119681885
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356
2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895070
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide (CID 76894842) is 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide?
The InChIKey is MURMHNDKJBLPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-14(2,3)12(17)13(19)18(4)8-9-5-10(15)7-11(16)6-9/h5-7,12H,8,17H2,1-4H3.
What are the key properties of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide?
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide has a molecular weight of 303.23 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 76894842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).