(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate

C22H26NO5- — CID 7045013

IUPAC(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
SMILESCOc1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-22(2,3)16-7-5-15(6-8-16)19(13-21(25)26)23-20(24)14-28-18-11-9-17(27-4)10-12-18/h5-12,19H,13-14H2,1-4H3,(H,23,24)(H,25,26)/p-1/t19-/m1/s1
InChIKeyVZDWRYHVLNLIKC-LJQANCHMSA-M
MW384.45 g/mol
LogP2.37
Rot. Bonds8

About (3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate

(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate (PubChem CID 7045013) has the molecular formula C22H26NO5- and a molecular weight of 384.45 g/mol. Its IUPAC name is (3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Name(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
PubChem CID7045013
Molecular FormulaC22H26NO5-
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
SMILESCOc1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27NO5/c1-22(2,3)16-7-5-15(6-8-16)19(13-21(25)26)23-20(24)14-28-18-11-9-17(27-4)10-12-18/h5-12,19H,13-14H2,1-4H3,(H,23,24)(H,25,26)/p-1/t19-/m1/s1
InChIKeyVZDWRYHVLNLIKC-LJQANCHMSA-M
XLogP2.37
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate 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-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
(3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 7343428
(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 7045097
(3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 7300065
2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 55655578
3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3992171
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7045026
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92685438

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate?
The IUPAC name of (3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate (CID 7045013) is (3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for (3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate?
The canonical SMILES for (3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate is COc1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate?
The InChIKey is VZDWRYHVLNLIKC-LJQANCHMSA-M. The full InChI is InChI=1S/C22H27NO5/c1-22(2,3)16-7-5-15(6-8-16)19(13-21(25)26)23-20(24)14-28-18-11-9-17(27-4)10-12-18/h5-12,19H,13-14H2,1-4H3,(H,23,24)(H,25,26)/p-1/t19-/m1/s1.
What are the key properties of (3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate?
(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate has a molecular weight of 384.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 7045013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).