2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide

C13H20N2O — CID 43507738

IUPAC2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
SMILESCNC(C)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C13H20N2O/c1-9(2)13(16)15-12-7-5-6-11(8-12)10(3)14-4/h5-10,14H,1-4H3,(H,15,16)
InChIKeyJBMICPLIRAVYTK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.56
Rot. Bonds4

About 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide

2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide (PubChem CID 43507738) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
PubChem CID43507738
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
SMILESCNC(C)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C13H20N2O/c1-9(2)13(16)15-12-7-5-6-11(8-12)10(3)14-4/h5-10,14H,1-4H3,(H,15,16)
InChIKeyJBMICPLIRAVYTK-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
CID 78894521
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247
3,4-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507770
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507750
2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507775
N-[3-[1-(methylamino)ethyl]phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide (CID 43507738) is 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide is CNC(C)c1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide?
The InChIKey is JBMICPLIRAVYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)13(16)15-12-7-5-6-11(8-12)10(3)14-4/h5-10,14H,1-4H3,(H,15,16).
What are the key properties of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide?
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide has a molecular weight of 220.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide is sourced from PubChem (CID 43507738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).