N-benzyl-3-methyl-2-(methylamino)butanamide

C13H20N2O — CID 21365821

IUPACN-benzyl-3-methyl-2-(methylamino)butanamide
SMILESCNC(C(=O)NCc1ccccc1)C(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)12(14-3)13(16)15-9-11-7-5-4-6-8-11/h4-8,10,12,14H,9H2,1-3H3,(H,15,16)
InChIKeyHGZXWIDTUAHPTQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.55
Rot. Bonds5

About N-benzyl-3-methyl-2-(methylamino)butanamide

N-benzyl-3-methyl-2-(methylamino)butanamide (PubChem CID 21365821) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-benzyl-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-2-(methylamino)butanamide
PubChem CID21365821
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-benzyl-3-methyl-2-(methylamino)butanamide
SMILESCNC(C(=O)NCc1ccccc1)C(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)12(14-3)13(16)15-9-11-7-5-4-6-8-11/h4-8,10,12,14H,9H2,1-3H3,(H,15,16)
InChIKeyHGZXWIDTUAHPTQ-UHFFFAOYSA-N
XLogP1.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-2-(chloroamino)-3-methylbutanamide
CID 88902404
N-benzyl-2-methylpropanamide;methane
CID 160760567
2-(benzylcarbamoylamino)-3-methyl-N-[2-(methylamino)ethyl]butanamide
CID 119502329
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-2-bromobenzamide
CID 17391425
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
2,3-diamino-N-benzylbutanamide
CID 143155055
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
2-(benzenesulfonamido)-3-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 42925410
2-(benzylcarbamoylamino)-N-[(3-bromophenyl)methyl]-3-methylbutanamide
CID 55596529
(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-2-(methylamino)butanamide
CID 90256548

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2-(methylamino)butanamide?
The IUPAC name of N-benzyl-3-methyl-2-(methylamino)butanamide (CID 21365821) is N-benzyl-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for N-benzyl-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for N-benzyl-3-methyl-2-(methylamino)butanamide is CNC(C(=O)NCc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-3-methyl-2-(methylamino)butanamide?
The InChIKey is HGZXWIDTUAHPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)12(14-3)13(16)15-9-11-7-5-4-6-8-11/h4-8,10,12,14H,9H2,1-3H3,(H,15,16).
What are the key properties of N-benzyl-3-methyl-2-(methylamino)butanamide?
N-benzyl-3-methyl-2-(methylamino)butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 21365821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).