4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid

C19H21NO4 — CID 119172841

IUPAC4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-20(14-8-13-17(21)22)19(23)18(15-9-4-2-5-10-15)24-16-11-6-3-7-12-16/h2-7,9-12,18H,8,13-14H2,1H3,(H,21,22)
InChIKeyOAKWVCAVSXNOIH-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.13
Rot. Bonds8

About 4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid

4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid (PubChem CID 119172841) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid
PubChem CID119172841
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-20(14-8-13-17(21)22)19(23)18(15-9-4-2-5-10-15)24-16-11-6-3-7-12-16/h2-7,9-12,18H,8,13-14H2,1H3,(H,21,22)
InChIKeyOAKWVCAVSXNOIH-UHFFFAOYSA-N
XLogP3.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenoxy-2-phenylacetamide
CID 94818236
4-[methyl(2-phenylpentanoyl)amino]butanoic acid
CID 119172838
4-[methyl-[(2R)-2-methyl-3-phenylpropanoyl]amino]butanoic acid
CID 97323909
4-[2-(4-bromophenoxy)propanoyl-methylamino]butanoic acid
CID 43240368
N-[2-(dimethylamino)ethyl]-2-phenoxy-2-phenyl-N-propylacetamide
CID 71880422
4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
CID 43360056
4-[2-(4-tert-butylphenoxy)propanoyl-methylamino]butanoic acid
CID 119172580
2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562
4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
CID 43359977
4-[methyl-[2-(4-methylsulfanylphenoxy)propanoyl]amino]butanoic acid
CID 119173255
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid (CID 119172841) is 4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)C(Oc1ccccc1)c1ccccc1.
What is the InChIKey of 4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid?
The InChIKey is OAKWVCAVSXNOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-20(14-8-13-17(21)22)19(23)18(15-9-4-2-5-10-15)24-16-11-6-3-7-12-16/h2-7,9-12,18H,8,13-14H2,1H3,(H,21,22).
What are the key properties of 4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid?
4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid is sourced from PubChem (CID 119172841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).