(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide

C13H20N2O — CID 78973314

IUPAC(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)N(C)C(=O)[C@@H](C)N)cc1
InChIInChI=1S/C13H20N2O/c1-9-5-7-12(8-6-9)11(3)15(4)13(16)10(2)14/h5-8,10-11H,14H2,1-4H3/t10-,11?/m1/s1
InChIKeyBVDJXFZJLQDXND-NFJWQWPMSA-N
MW220.32 g/mol
LogP1.86
Rot. Bonds3

About (2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide

(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide (PubChem CID 78973314) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
PubChem CID78973314
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)N(C)C(=O)[C@@H](C)N)cc1
InChIInChI=1S/C13H20N2O/c1-9-5-7-12(8-6-9)11(3)15(4)13(16)10(2)14/h5-8,10-11H,14H2,1-4H3/t10-,11?/m1/s1
InChIKeyBVDJXFZJLQDXND-NFJWQWPMSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119275395
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
3-amino-N,2-dimethyl-N-[1-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119717391
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
N-methyl-2-(methylamino)-N-[1-(4-methylphenyl)ethyl]propanamide
CID 62637498
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide
CID 112725740
2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 114997863
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
N-methyl-2-(4-methylphenyl)propanehydrazide
CID 116845714
3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61107639
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide (CID 78973314) is (2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide is Cc1ccc(C(C)N(C)C(=O)[C@@H](C)N)cc1.
What is the InChIKey of (2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide?
The InChIKey is BVDJXFZJLQDXND-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-5-7-12(8-6-9)11(3)15(4)13(16)10(2)14/h5-8,10-11H,14H2,1-4H3/t10-,11?/m1/s1.
What are the key properties of (2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide?
(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 78973314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).