(2R)-2-(2-phenoxy-N-propylanilino)butanoic acid

C19H23NO3 — CID 125045010

IUPAC(2R)-2-(2-phenoxy-N-propylanilino)butanoic acid
SMILESCCCN(c1ccccc1Oc1ccccc1)[C@H](CC)C(=O)O
InChIInChI=1S/C19H23NO3/c1-3-14-20(16(4-2)19(21)22)17-12-8-9-13-18(17)23-15-10-6-5-7-11-15/h5-13,16H,3-4,14H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyFZVIPSSMWPIANT-MRXNPFEDSA-N
MW313.40 g/mol
LogP4.56
Rot. Bonds8

About (2R)-2-(2-phenoxy-N-propylanilino)butanoic acid

(2R)-2-(2-phenoxy-N-propylanilino)butanoic acid (PubChem CID 125045010) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-2-(2-phenoxy-N-propylanilino)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-phenoxy-N-propylanilino)butanoic acid
PubChem CID125045010
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R)-2-(2-phenoxy-N-propylanilino)butanoic acid
SMILESCCCN(c1ccccc1Oc1ccccc1)[C@H](CC)C(=O)O
InChIInChI=1S/C19H23NO3/c1-3-14-20(16(4-2)19(21)22)17-12-8-9-13-18(17)23-15-10-6-5-7-11-15/h5-13,16H,3-4,14H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyFZVIPSSMWPIANT-MRXNPFEDSA-N
XLogP4.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-phenoxy-N-propylanilino)butanoic acid
CID 100521174
N-ethyl-2-phenoxy-N-(1-phenoxyethyl)aniline
CID 21407175
2-(N-ethyl-2-phenoxyanilino)acetic acid
CID 100522605
N-methyl-N-(2-phenoxyphenyl)pentanamide
CID 60606428
(2S)-2-(4-methyl-N-propylanilino)butanoic acid
CID 100517320
2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide
CID 122591106
2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide
CID 122591136
(2R)-2-(4-chloro-2-methyl-N-propylanilino)butanoic acid
CID 125045200
N,N-dioctyl-2-phenoxyaniline
CID 139723274
2-phenoxy-N,N-di(tridecyl)aniline
CID 139723702
N,N-dioctadecyl-2-phenoxyaniline
CID 139724057
(2S)-2-(3-bromo-N-propylanilino)butanoic acid
CID 100519030

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-phenoxy-N-propylanilino)butanoic acid?
The IUPAC name of (2R)-2-(2-phenoxy-N-propylanilino)butanoic acid (CID 125045010) is (2R)-2-(2-phenoxy-N-propylanilino)butanoic acid.
What is the SMILES notation for (2R)-2-(2-phenoxy-N-propylanilino)butanoic acid?
The canonical SMILES for (2R)-2-(2-phenoxy-N-propylanilino)butanoic acid is CCCN(c1ccccc1Oc1ccccc1)[C@H](CC)C(=O)O.
What is the InChIKey of (2R)-2-(2-phenoxy-N-propylanilino)butanoic acid?
The InChIKey is FZVIPSSMWPIANT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-14-20(16(4-2)19(21)22)17-12-8-9-13-18(17)23-15-10-6-5-7-11-15/h5-13,16H,3-4,14H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-2-(2-phenoxy-N-propylanilino)butanoic acid?
(2R)-2-(2-phenoxy-N-propylanilino)butanoic acid has a molecular weight of 313.40 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-phenoxy-N-propylanilino)butanoic acid is sourced from PubChem (CID 125045010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).