2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid

C15H22N2O3 — CID 62820463

IUPAC2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CCC(=O)Nc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-17(15(2,3)14(19)20)11-10-13(18)16-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyNNFRRTJPLCESGA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.20
Rot. Bonds7

About 2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid

2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid (PubChem CID 62820463) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid
PubChem CID62820463
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CCC(=O)Nc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-4-17(15(2,3)14(19)20)11-10-13(18)16-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyNNFRRTJPLCESGA-UHFFFAOYSA-N
XLogP2.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
3-(dipropylamino)-N-phenylpropanamide
CID 52579960
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62822057
4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
3-[2-hydroxyethyl(propyl)amino]-N-phenylpropanamide
CID 62016603
2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 62637248
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
CID 62820426
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307

Frequently Asked Questions

What is the IUPAC name of 2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid (CID 62820463) is 2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid is CCN(CCC(=O)Nc1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is NNFRRTJPLCESGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-17(15(2,3)14(19)20)11-10-13(18)16-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid?
2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-anilino-3-oxopropyl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).