2-amino-N-benzyl-N,3,3-trimethylbutanamide

C14H22N2O — CID 76891956

IUPAC2-amino-N-benzyl-N,3,3-trimethylbutanamide
SMILESCN(Cc1ccccc1)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-14(2,3)12(15)13(17)16(4)10-11-8-6-5-7-9-11/h5-9,12H,10,15H2,1-4H3
InChIKeyFZJOYZVWYQVWSP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds3

About 2-amino-N-benzyl-N,3,3-trimethylbutanamide

2-amino-N-benzyl-N,3,3-trimethylbutanamide (PubChem CID 76891956) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-N-benzyl-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N,3,3-trimethylbutanamide
PubChem CID76891956
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-N-benzyl-N,3,3-trimethylbutanamide
SMILESCN(Cc1ccccc1)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-14(2,3)12(15)13(17)16(4)10-11-8-6-5-7-9-11/h5-9,12H,10,15H2,1-4H3
InChIKeyFZJOYZVWYQVWSP-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
CID 119681885
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895070
2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895271
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894842
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N-benzyl-N,3,3-trimethylbutanamide (CID 76891956) is 2-amino-N-benzyl-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N-benzyl-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N-benzyl-N,3,3-trimethylbutanamide is CN(Cc1ccccc1)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-benzyl-N,3,3-trimethylbutanamide?
The InChIKey is FZJOYZVWYQVWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)12(15)13(17)16(4)10-11-8-6-5-7-9-11/h5-9,12H,10,15H2,1-4H3.
What are the key properties of 2-amino-N-benzyl-N,3,3-trimethylbutanamide?
2-amino-N-benzyl-N,3,3-trimethylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N,3,3-trimethylbutanamide is sourced from PubChem (CID 76891956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).