2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid

C15H23N3O3 — CID 63118749

IUPAC2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid
SMILESCCN(CC)C(=O)C(C)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C15H23N3O3/c1-4-17(5-2)15(21)11(3)18(10-14(19)20)13-9-7-6-8-12(13)16/h6-9,11H,4-5,10,16H2,1-3H3,(H,19,20)
InChIKeyJCEDVNKRFYPLJK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.42
Rot. Bonds7

About 2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid

2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid (PubChem CID 63118749) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid
PubChem CID63118749
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid
SMILESCCN(CC)C(=O)C(C)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C15H23N3O3/c1-4-17(5-2)15(21)11(3)18(10-14(19)20)13-9-7-6-8-12(13)16/h6-9,11H,4-5,10,16H2,1-3H3,(H,19,20)
InChIKeyJCEDVNKRFYPLJK-UHFFFAOYSA-N
XLogP1.42
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 63118704
2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide
CID 43459417
2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide
CID 43319089
2-(2-amino-N-[2-(butan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 63118776
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide
CID 43117358
2-(2-amino-N-pentanoylanilino)acetic acid
CID 63118152
2-(2-amino-N-ethylanilino)-N-cyclopentylpropanamide
CID 62102962
2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid
CID 63118737
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104517317
2-[2-amino-N-(2-propan-2-yloxyethylsulfonyl)anilino]acetic acid
CID 79592409

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid?
The IUPAC name of 2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid (CID 63118749) is 2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid.
What is the SMILES notation for 2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid?
The canonical SMILES for 2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid is CCN(CC)C(=O)C(C)N(CC(=O)O)c1ccccc1N.
What is the InChIKey of 2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid?
The InChIKey is JCEDVNKRFYPLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-17(5-2)15(21)11(3)18(10-14(19)20)13-9-7-6-8-12(13)16/h6-9,11H,4-5,10,16H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid?
2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid is sourced from PubChem (CID 63118749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).