2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid

C21H25NO5 — CID 11760451

IUPAC2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(C(=O)NCc2ccccc2OC)c1)C(=O)O
InChIInChI=1S/C21H25NO5/c1-4-15(21(24)25)11-14-9-10-19(27-3)17(12-14)20(23)22-13-16-7-5-6-8-18(16)26-2/h5-10,12,15H,4,11,13H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyMSVBKZWLLJIWPH-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.29
Rot. Bonds9

About 2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid

2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid (PubChem CID 11760451) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
PubChem CID11760451
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid
SMILESCCC(Cc1ccc(OC)c(C(=O)NCc2ccccc2OC)c1)C(=O)O
InChIInChI=1S/C21H25NO5/c1-4-15(21(24)25)11-14-9-10-19(27-3)17(12-14)20(23)22-13-16-7-5-6-8-18(16)26-2/h5-10,12,15H,4,11,13H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyMSVBKZWLLJIWPH-UHFFFAOYSA-N
XLogP3.29
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
2-[[4-methoxy-3-[[(5-methylpyrazine-2-carbonyl)amino]methyl]phenyl]methyl]butanoic acid
CID 22494357
3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-hydroxypropanoic acid
CID 20777373
ethyl 2-[[4-methoxy-3-[(3-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoate
CID 10874221
2-[[3-[3-[[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]methyl]-4-methoxyphenyl]phenyl]methyl]butanoic acid
CID 59218928
(2S)-2-[[3-[[4-(4-hydroxyphenoxy)phenyl]methylcarbamoyl]-4-methoxyphenyl]methyl]pentanoic acid
CID 139985268
2-[[4-methoxy-3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]methyl]butanoic acid
CID 142055877
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]butanoic acid
CID 175151387

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid?
The IUPAC name of 2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid (CID 11760451) is 2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid.
What is the SMILES notation for 2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid?
The canonical SMILES for 2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid is CCC(Cc1ccc(OC)c(C(=O)NCc2ccccc2OC)c1)C(=O)O.
What is the InChIKey of 2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid?
The InChIKey is MSVBKZWLLJIWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-4-15(21(24)25)11-14-9-10-19(27-3)17(12-14)20(23)22-13-16-7-5-6-8-18(16)26-2/h5-10,12,15H,4,11,13H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid?
2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid has a molecular weight of 371.43 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoic acid is sourced from PubChem (CID 11760451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).