2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid

C19H23NO3 — CID 39453886

IUPAC2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid
SMILESCCOc1cccc(CN(CCc2ccccc2)CC(=O)O)c1
InChIInChI=1S/C19H23NO3/c1-2-23-18-10-6-9-17(13-18)14-20(15-19(21)22)12-11-16-7-4-3-5-8-16/h3-10,13H,2,11-12,14-15H2,1H3,(H,21,22)
InChIKeyIUAMPFNGMYPGKZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.21
Rot. Bonds9

About 2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid

2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid (PubChem CID 39453886) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid
PubChem CID39453886
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid
SMILESCCOc1cccc(CN(CCc2ccccc2)CC(=O)O)c1
InChIInChI=1S/C19H23NO3/c1-2-23-18-10-6-9-17(13-18)14-20(15-19(21)22)12-11-16-7-4-3-5-8-16/h3-10,13H,2,11-12,14-15H2,1H3,(H,21,22)
InChIKeyIUAMPFNGMYPGKZ-UHFFFAOYSA-N
XLogP3.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
CID 39385265
2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
CID 71497144
2-[(3-propoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263713
2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid
CID 122040180
2-[cyclopropylmethyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65054742
2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347170
2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65056223
2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 5042527
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
2-[benzyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 16739272
2-[benzyl-[2-[4-(4-phenylbutoxy)phenyl]ethyl]amino]-N-methoxy-N-methylacetamide
CID 86605038

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid (CID 39453886) is 2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid is CCOc1cccc(CN(CCc2ccccc2)CC(=O)O)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid?
The InChIKey is IUAMPFNGMYPGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-23-18-10-6-9-17(13-18)14-20(15-19(21)22)12-11-16-7-4-3-5-8-16/h3-10,13H,2,11-12,14-15H2,1H3,(H,21,22).
What are the key properties of 2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid?
2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid has a molecular weight of 313.40 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenyl)methyl-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 39453886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).