(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide

C11H16N2O — CID 59393630

IUPAC(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H16N2O/c1-8-5-4-6-10(7-8)13-11(14)9(2)12-3/h4-7,9,12H,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyBGCLEYGEBWHOEG-VIFPVBQESA-N
MW192.26 g/mol
LogP1.54
Rot. Bonds3

About (2S)-2-(methylamino)-N-(3-methylphenyl)propanamide

(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide (PubChem CID 59393630) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
PubChem CID59393630
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H16N2O/c1-8-5-4-6-10(7-8)13-11(14)9(2)12-3/h4-7,9,12H,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyBGCLEYGEBWHOEG-VIFPVBQESA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 32704805
2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360
(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957051
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
N-(3-methylphenyl)-2-(propylamino)propanamide
CID 71772237
(2S)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957050
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
2-(2,3-dimethylanilino)-N-(3-methylphenyl)propanamide
CID 46757400
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
CID 62637299

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-(3-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-(3-methylphenyl)propanamide (CID 59393630) is (2S)-2-(methylamino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-(3-methylphenyl)propanamide is CN[C@@H](C)C(=O)Nc1cccc(C)c1.
What is the InChIKey of (2S)-2-(methylamino)-N-(3-methylphenyl)propanamide?
The InChIKey is BGCLEYGEBWHOEG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-5-4-6-10(7-8)13-11(14)9(2)12-3/h4-7,9,12H,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-(3-methylphenyl)propanamide?
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide has a molecular weight of 192.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 59393630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).