3-[(2,4-dimethylphenyl)methylamino]butanamide

C13H20N2O — CID 115676436

IUPAC3-[(2,4-dimethylphenyl)methylamino]butanamide
SMILESCc1ccc(CNC(C)CC(N)=O)c(C)c1
InChIInChI=1S/C13H20N2O/c1-9-4-5-12(10(2)6-9)8-15-11(3)7-13(14)16/h4-6,11,15H,7-8H2,1-3H3,(H2,14,16)
InChIKeyZERBNRHNSHLEMK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.66
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)methylamino]butanamide

3-[(2,4-dimethylphenyl)methylamino]butanamide (PubChem CID 115676436) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methylamino]butanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methylamino]butanamide
PubChem CID115676436
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[(2,4-dimethylphenyl)methylamino]butanamide
SMILESCc1ccc(CNC(C)CC(N)=O)c(C)c1
InChIInChI=1S/C13H20N2O/c1-9-4-5-12(10(2)6-9)8-15-11(3)7-13(14)16/h4-6,11,15H,7-8H2,1-3H3,(H2,14,16)
InChIKeyZERBNRHNSHLEMK-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(4-methyl-2-methylsulfanylphenyl)methylamino]butanamide
CID 97323672
3-[(4-chloro-2-methylphenyl)methylamino]butanamide
CID 104854330
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
(2S)-5-amino-2-[(2,4-dimethylphenyl)methylamino]-5-oxopentanoic acid
CID 67619717
(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide
CID 168863362
2-N-[(2,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946054
tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate
CID 107248074
N-[(2,4-dimethylphenyl)methyl]-6-methylheptan-2-amine
CID 43080523
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
2-[(2,4-dimethylphenyl)methylamino]oxyacetamide
CID 112672487
3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
CID 106095989
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]butanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]butanamide (CID 115676436) is 3-[(2,4-dimethylphenyl)methylamino]butanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methylamino]butanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methylamino]butanamide is Cc1ccc(CNC(C)CC(N)=O)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methylamino]butanamide?
The InChIKey is ZERBNRHNSHLEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-5-12(10(2)6-9)8-15-11(3)7-13(14)16/h4-6,11,15H,7-8H2,1-3H3,(H2,14,16).
What are the key properties of 3-[(2,4-dimethylphenyl)methylamino]butanamide?
3-[(2,4-dimethylphenyl)methylamino]butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methylamino]butanamide is sourced from PubChem (CID 115676436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).