2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid

C15H20N2O4 — CID 103106848

IUPAC2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-17(3)14(19)10(2)16-13(18)9-11-7-5-6-8-12(11)15(20)21/h5-8,10H,4,9H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyMHUSSBNUVUPVDP-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.91
Rot. Bonds6

About 2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid

2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid (PubChem CID 103106848) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid
PubChem CID103106848
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-17(3)14(19)10(2)16-13(18)9-11-7-5-6-8-12(11)15(20)21/h5-8,10H,4,9H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyMHUSSBNUVUPVDP-UHFFFAOYSA-N
XLogP0.91
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431503
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methyl-3-phenylpropanamide
CID 103109133
2-[2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601393
N-ethyl-N-methyl-2-(3-naphthalen-2-ylpropanoylamino)propanamide
CID 119046892
(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide
CID 95340452
2-[2-(1-cyclopentylethylamino)-2-oxoethyl]benzoic acid
CID 104601586
2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 113354301
2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
CID 115923743
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108505
2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid
CID 115923634
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
(2R)-2-[3-(1,3-benzodioxol-4-yl)propanoylamino]-N-ethyl-N-methylpropanamide
CID 124847361

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid (CID 103106848) is 2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid is CCN(C)C(=O)C(C)NC(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid?
The InChIKey is MHUSSBNUVUPVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-17(3)14(19)10(2)16-13(18)9-11-7-5-6-8-12(11)15(20)21/h5-8,10H,4,9H2,1-3H3,(H,16,18)(H,20,21).
What are the key properties of 2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid?
2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 103106848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).