3-(2-methoxy-N-pentylanilino)propanoic acid

C15H23NO3 — CID 82318150

IUPAC3-(2-methoxy-N-pentylanilino)propanoic acid
SMILESCCCCCN(CCC(=O)O)c1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-3-4-7-11-16(12-10-15(17)18)13-8-5-6-9-14(13)19-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,17,18)
InChIKeyNTASFYKIWKHQLI-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.17
Rot. Bonds9

About 3-(2-methoxy-N-pentylanilino)propanoic acid

3-(2-methoxy-N-pentylanilino)propanoic acid (PubChem CID 82318150) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(2-methoxy-N-pentylanilino)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-N-pentylanilino)propanoic acid
PubChem CID82318150
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(2-methoxy-N-pentylanilino)propanoic acid
SMILESCCCCCN(CCC(=O)O)c1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-3-4-7-11-16(12-10-15(17)18)13-8-5-6-9-14(13)19-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,17,18)
InChIKeyNTASFYKIWKHQLI-UHFFFAOYSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N,N-dihexyl-2-methoxyaniline
CID 59373144
3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid
CID 95529086
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
3-(N-butyl-2-fluoroanilino)propanoic acid
CID 82317948
3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
N,N-dioctadecyl-2-phenoxyaniline
CID 139724057
N,N-dioctyl-2-phenoxyaniline
CID 139723274
2-phenoxy-N,N-di(tridecyl)aniline
CID 139723702
2-[butyl-[2-(N-butyl-2-carboxyanilino)ethyl]amino]benzoic acid
CID 13212636
3-(N-heptyl-2,6-dimethylanilino)propanoic acid
CID 82319047
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-N-pentylanilino)propanoic acid?
The IUPAC name of 3-(2-methoxy-N-pentylanilino)propanoic acid (CID 82318150) is 3-(2-methoxy-N-pentylanilino)propanoic acid.
What is the SMILES notation for 3-(2-methoxy-N-pentylanilino)propanoic acid?
The canonical SMILES for 3-(2-methoxy-N-pentylanilino)propanoic acid is CCCCCN(CCC(=O)O)c1ccccc1OC.
What is the InChIKey of 3-(2-methoxy-N-pentylanilino)propanoic acid?
The InChIKey is NTASFYKIWKHQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-4-7-11-16(12-10-15(17)18)13-8-5-6-9-14(13)19-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-methoxy-N-pentylanilino)propanoic acid?
3-(2-methoxy-N-pentylanilino)propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-N-pentylanilino)propanoic acid is sourced from PubChem (CID 82318150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).