2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid

C29H32N2O4 — CID 158321739

IUPAC2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid
SMILESCC(Cc1ccc(OCc2ccccc2)cc1)(Nc1ccccc1C(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C29H32N2O4/c1-29(28(33)34,20-22-14-16-24(17-15-22)35-21-23-10-4-2-5-11-23)30-26-13-7-6-12-25(26)27(32)31-18-8-3-9-19-31/h2,4-7,10-17,30H,3,8-9,18-21H2,1H3,(H,33,34)
InChIKeyGOXWVAHNFPDSLI-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.39
Rot. Bonds9

About 2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid

2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid (PubChem CID 158321739) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid
PubChem CID158321739
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid
SMILESCC(Cc1ccc(OCc2ccccc2)cc1)(Nc1ccccc1C(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C29H32N2O4/c1-29(28(33)34,20-22-14-16-24(17-15-22)35-21-23-10-4-2-5-11-23)30-26-13-7-6-12-25(26)27(32)31-18-8-3-9-19-31/h2,4-7,10-17,30H,3,8-9,18-21H2,1H3,(H,33,34)
InChIKeyGOXWVAHNFPDSLI-UHFFFAOYSA-N
XLogP5.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349
N-[2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55738403
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 21367678
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462
phenyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate
CID 5064949
4-[(2-chlorophenyl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 19916445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid?
The IUPAC name of 2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid (CID 158321739) is 2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid.
What is the SMILES notation for 2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid?
The canonical SMILES for 2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid is CC(Cc1ccc(OCc2ccccc2)cc1)(Nc1ccccc1C(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid?
The InChIKey is GOXWVAHNFPDSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-29(28(33)34,20-22-14-16-24(17-15-22)35-21-23-10-4-2-5-11-23)30-26-13-7-6-12-25(26)27(32)31-18-8-3-9-19-31/h2,4-7,10-17,30H,3,8-9,18-21H2,1H3,(H,33,34).
What are the key properties of 2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid?
2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid has a molecular weight of 472.59 g/mol, XLogP of 5.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-phenylmethoxyphenyl)-2-[2-(piperidine-1-carbonyl)anilino]propanoic acid is sourced from PubChem (CID 158321739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).