6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid

C16H23NO4 — CID 60940420

IUPAC6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
SMILESCOc1ccc(C)cc1C(C)NC(=O)CCCCC(=O)O
InChIInChI=1S/C16H23NO4/c1-11-8-9-14(21-3)13(10-11)12(2)17-15(18)6-4-5-7-16(19)20/h8-10,12H,4-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyUWMKQUALGMIOIL-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.83
Rot. Bonds8

About 6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid

6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid (PubChem CID 60940420) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
PubChem CID60940420
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
SMILESCOc1ccc(C)cc1C(C)NC(=O)CCCCC(=O)O
InChIInChI=1S/C16H23NO4/c1-11-8-9-14(21-3)13(10-11)12(2)17-15(18)6-4-5-7-16(19)20/h8-10,12H,4-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyUWMKQUALGMIOIL-UHFFFAOYSA-N
XLogP2.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
4-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119179775
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 51212418
3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51078699
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
N-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630855
3-amino-4-[1-(2-methoxy-5-methylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896852
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid (CID 60940420) is 6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid is COc1ccc(C)cc1C(C)NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid?
The InChIKey is UWMKQUALGMIOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-8-9-14(21-3)13(10-11)12(2)17-15(18)6-4-5-7-16(19)20/h8-10,12H,4-7H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid?
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid is sourced from PubChem (CID 60940420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).