N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide

C24H26N2O3 — CID 55710931

IUPACN-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CCCOc2cccc3ccccc23)c1
InChIInChI=1S/C24H26N2O3/c1-17(20-10-5-11-21(16-20)26-18(2)27)25-24(28)14-7-15-29-23-13-6-9-19-8-3-4-12-22(19)23/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNZGRTFPKNLCCGT-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.83
Rot. Bonds8

About N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide

N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide (PubChem CID 55710931) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide
PubChem CID55710931
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CCCOc2cccc3ccccc23)c1
InChIInChI=1S/C24H26N2O3/c1-17(20-10-5-11-21(16-20)26-18(2)27)25-24(28)14-7-15-29-23-13-6-9-19-8-3-4-12-22(19)23/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNZGRTFPKNLCCGT-UHFFFAOYSA-N
XLogP4.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.83
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-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide
CID 52509760
(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
CID 119238607
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
CID 55706773
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide
CID 60979759
N-[3-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide
CID 51113600
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92679204

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide (CID 55710931) is N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide is CC(=O)Nc1cccc(C(C)NC(=O)CCCOc2cccc3ccccc23)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide?
The InChIKey is NZGRTFPKNLCCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-17(20-10-5-11-21(16-20)26-18(2)27)25-24(28)14-7-15-29-23-13-6-9-19-8-3-4-12-22(19)23/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide?
N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide has a molecular weight of 390.48 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 55710931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).