3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide

C13H20N2O — CID 28795019

IUPAC3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1N(C)C(=O)CCN
InChIInChI=1S/C13H20N2O/c1-10(2)11-6-4-5-7-12(11)15(3)13(16)8-9-14/h4-7,10H,8-9,14H2,1-3H3
InChIKeyFDJGCVINZNAZIY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.12
Rot. Bonds4

About 3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide

3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 28795019) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide
PubChem CID28795019
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1N(C)C(=O)CCN
InChIInChI=1S/C13H20N2O/c1-10(2)11-6-4-5-7-12(11)15(3)13(16)8-9-14/h4-7,10H,8-9,14H2,1-3H3
InChIKeyFDJGCVINZNAZIY-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-(2-methylphenyl)propanamide
CID 28794972
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 28772740
2-amino-N-[2,6-di(propan-2-yl)phenyl]-N-methylacetamide
CID 28794600
3-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide
CID 119305753
N-carbamothioyl-2-chloro-N-(2-propan-2-ylphenyl)acetamide
CID 118898422
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
N-methyl-2-(4-oxo-3-azabicyclo[3.1.1]heptan-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 167878738
N-methyl-N-propan-2-yl-2-(2-propan-2-ylphenyl)acetamide
CID 59961759
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
2-(N-methyl-2-propan-2-ylanilino)ethanol
CID 22718340
1,3-diamino-1-(2-propan-2-ylphenyl)urea
CID 174659276

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide (CID 28795019) is 3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1N(C)C(=O)CCN.
What is the InChIKey of 3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is FDJGCVINZNAZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)11-6-4-5-7-12(11)15(3)13(16)8-9-14/h4-7,10H,8-9,14H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide?
3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 220.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 28795019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).