3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid

C16H24N2O3 — CID 82326694

IUPAC3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
SMILESCCCN(CC(C)C(=O)O)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-4-10-18(11-12(2)16(20)21)13(3)15(19)17-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRPUPVDRUYMYLNB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.45
Rot. Bonds8

About 3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid

3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid (PubChem CID 82326694) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
PubChem CID82326694
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
SMILESCCCN(CC(C)C(=O)O)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-4-10-18(11-12(2)16(20)21)13(3)15(19)17-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRPUPVDRUYMYLNB-UHFFFAOYSA-N
XLogP2.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]-propylamino]-N-phenylpropanamide
CID 60613531
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide
CID 107494405
2-[dimethylcarbamoyl(propyl)amino]-N-phenylpropanamide
CID 75519630
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide
CID 54988244
2-methyl-N-phenylpentanamide
CID 4627801
(2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide
CID 52539253
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide
CID 56526533
2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304
2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326707
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]-N-phenylpropanamide
CID 91833950

Frequently Asked Questions

What is the IUPAC name of 3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid (CID 82326694) is 3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid is CCCN(CC(C)C(=O)O)C(C)C(=O)Nc1ccccc1.
What is the InChIKey of 3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid?
The InChIKey is RPUPVDRUYMYLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-10-18(11-12(2)16(20)21)13(3)15(19)17-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid?
3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid is sourced from PubChem (CID 82326694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).