2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid

C16H26N2O2 — CID 60994645

IUPAC2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-18(6-2)12-11-17-16(4,15(19)20)14-9-7-13(3)8-10-14/h7-10,17H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyAIWBHMWUJWZFQU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid

2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid (PubChem CID 60994645) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid
PubChem CID60994645
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-18(6-2)12-11-17-16(4,15(19)20)14-9-7-13(3)8-10-14/h7-10,17H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyAIWBHMWUJWZFQU-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
CID 60994370
2-[2-(diethylamino)ethylamino]-2-(4-ethylphenyl)propanamide
CID 60995324
methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate
CID 60993800
2-[2-(diethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanamide
CID 60995327
2-[4-(dimethylamino)phenyl]-2-(propylamino)propanoic acid
CID 54880652
3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid
CID 65265735
2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid
CID 114992666
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
CID 60992807
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid (CID 60994645) is 2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid is CCN(CC)CCNC(C)(C(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid?
The InChIKey is AIWBHMWUJWZFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18(6-2)12-11-17-16(4,15(19)20)14-9-7-13(3)8-10-14/h7-10,17H,5-6,11-12H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid?
2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid has a molecular weight of 278.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 60994645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).