3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide

C13H20N2O — CID 119326216

IUPAC3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide
SMILESCc1cccc(C)c1CCNC(=O)CCN
InChIInChI=1S/C13H20N2O/c1-10-4-3-5-11(2)12(10)7-9-15-13(16)6-8-14/h3-5H,6-9,14H2,1-2H3,(H,15,16)
InChIKeyFSSRRFQZCJTKLB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.31
Rot. Bonds5

About 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide

3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide (PubChem CID 119326216) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide
PubChem CID119326216
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide
SMILESCc1cccc(C)c1CCNC(=O)CCN
InChIInChI=1S/C13H20N2O/c1-10-4-3-5-11(2)12(10)7-9-15-13(16)6-8-14/h3-5H,6-9,14H2,1-2H3,(H,15,16)
InChIKeyFSSRRFQZCJTKLB-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride
CID 120562805
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 119788029
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide
CID 120500978
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
3-amino-N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]propanamide
CID 115153004
2-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119788074
3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115168005
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119788038

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide (CID 119326216) is 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide is Cc1cccc(C)c1CCNC(=O)CCN.
What is the InChIKey of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide?
The InChIKey is FSSRRFQZCJTKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-3-5-11(2)12(10)7-9-15-13(16)6-8-14/h3-5H,6-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide?
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 119326216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).