(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide

C13H20N2O — CID 76957051

IUPAC(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
SMILESCCCN[C@H](C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-4-8-14-11(3)13(16)15-12-7-5-6-10(2)9-12/h5-7,9,11,14H,4,8H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyHPKDESQTIVNIJZ-LLVKDONJSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds5

About (2R)-N-(3-methylphenyl)-2-(propylamino)propanamide

(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide (PubChem CID 76957051) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R)-N-(3-methylphenyl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
PubChem CID76957051
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
SMILESCCCN[C@H](C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-4-8-14-11(3)13(16)15-12-7-5-6-10(2)9-12/h5-7,9,11,14H,4,8H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyHPKDESQTIVNIJZ-LLVKDONJSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-(propylamino)propanamide
CID 71772237
(2S)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957050
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide
CID 62314821
(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 94090675
2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 47207048
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
2-(butylamino)-N-(3-chlorophenyl)propanamide
CID 3069643
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360
(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 32704805

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methylphenyl)-2-(propylamino)propanamide?
The IUPAC name of (2R)-N-(3-methylphenyl)-2-(propylamino)propanamide (CID 76957051) is (2R)-N-(3-methylphenyl)-2-(propylamino)propanamide.
What is the SMILES notation for (2R)-N-(3-methylphenyl)-2-(propylamino)propanamide?
The canonical SMILES for (2R)-N-(3-methylphenyl)-2-(propylamino)propanamide is CCCN[C@H](C)C(=O)Nc1cccc(C)c1.
What is the InChIKey of (2R)-N-(3-methylphenyl)-2-(propylamino)propanamide?
The InChIKey is HPKDESQTIVNIJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-8-14-11(3)13(16)15-12-7-5-6-10(2)9-12/h5-7,9,11,14H,4,8H2,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-methylphenyl)-2-(propylamino)propanamide?
(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide has a molecular weight of 220.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methylphenyl)-2-(propylamino)propanamide is sourced from PubChem (CID 76957051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).