3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid

C17H20N2O3 — CID 66645002

IUPAC3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid
SMILESCNN(CCC(=O)O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3/c1-18-19(12-11-17(20)21)15-7-9-16(10-8-15)22-13-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3,(H,20,21)
InChIKeyYCZBNTVMQLZUPV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.68
Rot. Bonds8

About 3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid

3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid (PubChem CID 66645002) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid
PubChem CID66645002
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid
SMILESCNN(CCC(=O)O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O3/c1-18-19(12-11-17(20)21)15-7-9-16(10-8-15)22-13-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3,(H,20,21)
InChIKeyYCZBNTVMQLZUPV-UHFFFAOYSA-N
XLogP2.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
3-[[methyl-[2-(4-phenylmethoxyphenoxy)ethyl]carbamoyl]amino]propanoic acid
CID 122017744
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
N-methyl-4-phenylmethoxybenzamide
CID 2996745
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
1-ethyl-1-(4-phenylmethoxyphenyl)urea
CID 67835509
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303

Frequently Asked Questions

What is the IUPAC name of 3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid?
The IUPAC name of 3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid (CID 66645002) is 3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid.
What is the SMILES notation for 3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid?
The canonical SMILES for 3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid is CNN(CCC(=O)O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid?
The InChIKey is YCZBNTVMQLZUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-18-19(12-11-17(20)21)15-7-9-16(10-8-15)22-13-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3,(H,20,21).
What are the key properties of 3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid?
3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid is sourced from PubChem (CID 66645002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).