(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide

C12H18N2O — CID 93383408

IUPAC(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
SMILESCNC(=O)[C@@H](C)NCc1cccc(C)c1
InChIInChI=1S/C12H18N2O/c1-9-5-4-6-11(7-9)8-14-10(2)12(15)13-3/h4-7,10,14H,8H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyOBIFJKHMUZXWIX-SNVBAGLBSA-N
MW206.29 g/mol
LogP1.22
Rot. Bonds4

About (2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide

(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide (PubChem CID 93383408) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
PubChem CID93383408
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
SMILESCNC(=O)[C@@H](C)NCc1cccc(C)c1
InChIInChI=1S/C12H18N2O/c1-9-5-4-6-11(7-9)8-14-10(2)12(15)13-3/h4-7,10,14H,8H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyOBIFJKHMUZXWIX-SNVBAGLBSA-N
XLogP1.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 60734142
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
CID 103735692
N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
CID 20823796
2-[(3-iodophenyl)methylamino]-N-methylpropanamide
CID 20823789
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
N-(ethylcarbamoyl)-2-[(3-methylphenyl)methylamino]propanamide
CID 60734036
N-methyl-2-[(3-nitrophenyl)methylamino]propanamide
CID 61057620
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of (2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide (CID 93383408) is (2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for (2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for (2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide is CNC(=O)[C@@H](C)NCc1cccc(C)c1.
What is the InChIKey of (2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is OBIFJKHMUZXWIX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-5-4-6-11(7-9)8-14-10(2)12(15)13-3/h4-7,10,14H,8H2,1-3H3,(H,13,15)/t10-/m1/s1.
What are the key properties of (2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide?
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 93383408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).