2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid

C15H23N3O3 — CID 107425180

IUPAC2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CCC(=O)Nc1ccccc1)CC(=O)O
InChIInChI=1S/C15H23N3O3/c1-17(2)10-11-18(12-15(20)21)9-8-14(19)16-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyPRZMQXIHWUMARI-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.96
Rot. Bonds9

About 2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid

2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 107425180) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID107425180
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CCC(=O)Nc1ccccc1)CC(=O)O
InChIInChI=1S/C15H23N3O3/c1-17(2)10-11-18(12-15(20)21)9-8-14(19)16-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyPRZMQXIHWUMARI-UHFFFAOYSA-N
XLogP0.96
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid
CID 107440552
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 107425853
3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
CID 126824367
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid
CID 63065919
2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 62637248
N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
CID 141036674
2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid
CID 107426148

Frequently Asked Questions

What is the IUPAC name of 2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid (CID 107425180) is 2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CCC(=O)Nc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is PRZMQXIHWUMARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17(2)10-11-18(12-15(20)21)9-8-14(19)16-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 107425180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).