2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid

C20H26N2O4 — CID 122120451

IUPAC2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
SMILESCC(=O)NCCN(CCCOc1ccc2ccccc2c1)C(C)C(=O)O
InChIInChI=1S/C20H26N2O4/c1-15(20(24)25)22(12-10-21-16(2)23)11-5-13-26-19-9-8-17-6-3-4-7-18(17)14-19/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,21,23)(H,24,25)
InChIKeySZROOCZKBALYEK-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.52
Rot. Bonds10

About 2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid

2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid (PubChem CID 122120451) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
PubChem CID122120451
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
SMILESCC(=O)NCCN(CCCOc1ccc2ccccc2c1)C(C)C(=O)O
InChIInChI=1S/C20H26N2O4/c1-15(20(24)25)22(12-10-21-16(2)23)11-5-13-26-19-9-8-17-6-3-4-7-18(17)14-19/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,21,23)(H,24,25)
InChIKeySZROOCZKBALYEK-UHFFFAOYSA-N
XLogP2.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
2-[2-acetamidoethyl(1-benzothiophen-2-ylmethyl)amino]propanoic acid
CID 122039139
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
N-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-2-yloxyacetamide
CID 8919238
2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid
CID 122039391
N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxypropanamide
CID 45147924
3-amino-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 119694969
2-[2-acetamidoethyl-[(3-bromo-2-fluorophenyl)methyl]amino]propanoic acid
CID 122039207
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168
1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid?
The IUPAC name of 2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid (CID 122120451) is 2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid?
The canonical SMILES for 2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid is CC(=O)NCCN(CCCOc1ccc2ccccc2c1)C(C)C(=O)O.
What is the InChIKey of 2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid?
The InChIKey is SZROOCZKBALYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-15(20(24)25)22(12-10-21-16(2)23)11-5-13-26-19-9-8-17-6-3-4-7-18(17)14-19/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid?
2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid has a molecular weight of 358.44 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid is sourced from PubChem (CID 122120451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).