2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid

C15H23N3O3 — CID 107425853

IUPAC2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCc1ccc(NC(=O)CN(CCN(C)C)CC(=O)O)cc1
InChIInChI=1S/C15H23N3O3/c1-12-4-6-13(7-5-12)16-14(19)10-18(11-15(20)21)9-8-17(2)3/h4-7H,8-11H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyOKKZXHQDXUUKSR-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.88
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 107425853) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid
PubChem CID107425853
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCc1ccc(NC(=O)CN(CCN(C)C)CC(=O)O)cc1
InChIInChI=1S/C15H23N3O3/c1-12-4-6-13(7-5-12)16-14(19)10-18(11-15(20)21)9-8-17(2)3/h4-7H,8-11H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyOKKZXHQDXUUKSR-UHFFFAOYSA-N
XLogP0.88
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425180
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl-(carboxymethyl)amino]acetic acid
CID 101102311
2-[2-[carboxymethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]acetic acid;zinc
CID 56659116
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
3-[[2-(4-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840513
2-[2-(dimethylamino)ethyl-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 107426070
2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822506

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid (CID 107425853) is 2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid is Cc1ccc(NC(=O)CN(CCN(C)C)CC(=O)O)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is OKKZXHQDXUUKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12-4-6-13(7-5-12)16-14(19)10-18(11-15(20)21)9-8-17(2)3/h4-7H,8-11H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 107425853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).