4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid

C20H25NO4 — CID 120511984

IUPAC4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
SMILESCOc1ccc(OC)c(CNC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C20H25NO4/c1-24-18-9-10-19(25-2)16(13-18)14-21-17(8-11-20(22)23)12-15-6-4-3-5-7-15/h3-7,9-10,13,17,21H,8,11-12,14H2,1-2H3,(H,22,23)
InChIKeyCHDSSTADCVNIAI-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.27
Rot. Bonds10

About 4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid

4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid (PubChem CID 120511984) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
PubChem CID120511984
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
SMILESCOc1ccc(OC)c(CNC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C20H25NO4/c1-24-18-9-10-19(25-2)16(13-18)14-21-17(8-11-20(22)23)12-15-6-4-3-5-7-15/h3-7,9-10,13,17,21H,8,11-12,14H2,1-2H3,(H,22,23)
InChIKeyCHDSSTADCVNIAI-UHFFFAOYSA-N
XLogP3.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045765
4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
CID 120546954
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896
3-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 43112090
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045704
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455
2-[(2-bromo-5-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 65323842

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid (CID 120511984) is 4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid is COc1ccc(OC)c(CNC(CCC(=O)O)Cc2ccccc2)c1.
What is the InChIKey of 4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid?
The InChIKey is CHDSSTADCVNIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-24-18-9-10-19(25-2)16(13-18)14-21-17(8-11-20(22)23)12-15-6-4-3-5-7-15/h3-7,9-10,13,17,21H,8,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of 4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid?
4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid has a molecular weight of 343.42 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120511984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).