2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid

C16H26N2O3 — CID 116693828

IUPAC2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid
SMILESCCNC(CCN(C)CCOC)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H26N2O3/c1-4-17-16(15(19)20,14-8-6-5-7-9-14)10-11-18(2)12-13-21-3/h5-9,17H,4,10-13H2,1-3H3,(H,19,20)
InChIKeyALTFCMQZFBXZJW-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.54
Rot. Bonds10

About 2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid

2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid (PubChem CID 116693828) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid
PubChem CID116693828
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid
SMILESCCNC(CCN(C)CCOC)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H26N2O3/c1-4-17-16(15(19)20,14-8-6-5-7-9-14)10-11-18(2)12-13-21-3/h5-9,17H,4,10-13H2,1-3H3,(H,19,20)
InChIKeyALTFCMQZFBXZJW-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694252
2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol
CID 116694993
4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
CID 116694243
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
2-(ethylamino)-4-(2-methylpropylsulfanyl)-2-phenylbutanoic acid
CID 116694462
4-[2,2-difluoroethyl(methyl)amino]-2-(methylamino)-2-phenylbutanoic acid
CID 116693923
4-(2-methoxyethylsulfanyl)-2-(methylamino)-2-phenylbutanoic acid
CID 116694492
methyl 2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487667
2-(2-methoxyethylamino)-2-phenylpentanamide
CID 55084877
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
CID 62140295
2-(ethylamino)-4-(4-methylpyrazol-1-yl)-2-phenylbutanoic acid
CID 116694007
methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate
CID 116693670

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid?
The IUPAC name of 2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid (CID 116693828) is 2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid is CCNC(CCN(C)CCOC)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid?
The InChIKey is ALTFCMQZFBXZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-17-16(15(19)20,14-8-6-5-7-9-14)10-11-18(2)12-13-21-3/h5-9,17H,4,10-13H2,1-3H3,(H,19,20).
What are the key properties of 2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid?
2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid has a molecular weight of 294.39 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[2-methoxyethyl(methyl)amino]-2-phenylbutanoic acid is sourced from PubChem (CID 116693828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).