3-amino-N-benzyl-N,3-dimethylbutanamide

C13H20N2O — CID 64684536

IUPAC3-amino-N-benzyl-N,3-dimethylbutanamide
SMILESCN(Cc1ccccc1)C(=O)CC(C)(C)N
InChIInChI=1S/C13H20N2O/c1-13(2,14)9-12(16)15(3)10-11-7-5-4-6-8-11/h4-8H,9-10,14H2,1-3H3
InChIKeySYMKGBFPRGEMSG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.77
Rot. Bonds4

About 3-amino-N-benzyl-N,3-dimethylbutanamide

3-amino-N-benzyl-N,3-dimethylbutanamide (PubChem CID 64684536) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-N-benzyl-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N,3-dimethylbutanamide
PubChem CID64684536
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-N-benzyl-N,3-dimethylbutanamide
SMILESCN(Cc1ccccc1)C(=O)CC(C)(C)N
InChIInChI=1S/C13H20N2O/c1-13(2,14)9-12(16)15(3)10-11-7-5-4-6-8-11/h4-8H,9-10,14H2,1-3H3
InChIKeySYMKGBFPRGEMSG-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
methyl 2-[(3-amino-3-methylbutanoyl)-benzylamino]acetate
CID 64676721
4-[[methyl-(3-methyl-3-phenylbutanoyl)amino]methyl]benzoic acid
CID 119226133
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81230408
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride
CID 119928823
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N,3-dimethylbutanamide?
The IUPAC name of 3-amino-N-benzyl-N,3-dimethylbutanamide (CID 64684536) is 3-amino-N-benzyl-N,3-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-benzyl-N,3-dimethylbutanamide?
The canonical SMILES for 3-amino-N-benzyl-N,3-dimethylbutanamide is CN(Cc1ccccc1)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-benzyl-N,3-dimethylbutanamide?
The InChIKey is SYMKGBFPRGEMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,14)9-12(16)15(3)10-11-7-5-4-6-8-11/h4-8H,9-10,14H2,1-3H3.
What are the key properties of 3-amino-N-benzyl-N,3-dimethylbutanamide?
3-amino-N-benzyl-N,3-dimethylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N,3-dimethylbutanamide is sourced from PubChem (CID 64684536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).