2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide

C15H25N3O3 — CID 129031412

IUPAC2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1ccccc1C.NCC(=O)O
InChIInChI=1S/C13H20N2O.C2H5NO2/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;3-1-2(4)5/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1,3H2,(H,4,5)
InChIKeyJELDFAAFMDJCLZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.35
Rot. Bonds6

About 2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide

2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide (PubChem CID 129031412) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide
PubChem CID129031412
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1ccccc1C.NCC(=O)O
InChIInChI=1S/C13H20N2O.C2H5NO2/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;3-1-2(4)5/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1,3H2,(H,4,5)
InChIKeyJELDFAAFMDJCLZ-UHFFFAOYSA-N
XLogP1.35
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethylamino)-N-(2-methylphenyl)propanamide
CID 82358477
2-[(2,2-diphenylacetyl)amino]-N-(2-methylphenyl)propanamide
CID 42702223
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
N-(2-methylphenyl)-2-phenylpentanamide
CID 78775166
ethyl (2R)-2-benzyl-3-(2-methylanilino)-3-oxopropanoate
CID 2288463
3-[2-(ethylamino)ethylamino]-4-(2-methylanilino)-4-oxobutanoic acid
CID 11836790
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
3-[(2-methylphenyl)carbamoylamino]butanoic acid
CID 61196856
3-(ethylamino)-2-methyl-N-(2-methylphenyl)propanamide
CID 45097653
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide?
The IUPAC name of 2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide (CID 129031412) is 2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide.
What is the SMILES notation for 2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide?
The canonical SMILES for 2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide is CCCNC(C)C(=O)Nc1ccccc1C.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide?
The InChIKey is JELDFAAFMDJCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C2H5NO2/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;3-1-2(4)5/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide?
2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide has a molecular weight of 295.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;N-(2-methylphenyl)-2-(propylamino)propanamide is sourced from PubChem (CID 129031412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).