4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide

C24H24N2O4 — CID 60621848

IUPAC4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
SMILESCC(=O)c1cccc(OCCCC(=O)NCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C24H24N2O4/c1-17(27)19-9-4-10-20(15-19)30-14-6-13-23(28)25-16-24(29)26-22-12-5-8-18-7-2-3-11-21(18)22/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyRMKMGMFNVQHDAY-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.96
Rot. Bonds9

About 4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide

4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide (PubChem CID 60621848) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
PubChem CID60621848
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
SMILESCC(=O)c1cccc(OCCCC(=O)NCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C24H24N2O4/c1-17(27)19-9-4-10-20(15-19)30-14-6-13-23(28)25-16-24(29)26-22-12-5-8-18-7-2-3-11-21(18)22/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyRMKMGMFNVQHDAY-UHFFFAOYSA-N
XLogP3.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.96
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

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903061
2-[4-[4-(3-acetylphenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231587
2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 60593466
4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654445
4-(3-acetylphenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 51099882
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
N-[2-[4-(3-acetylphenoxy)butanoylamino]ethyl]-3-bromobenzamide
CID 60615622
2-[4-(3-acetylphenoxy)butanoylamino]propanoic acid
CID 119225405
2-[3-(2-ethoxyethoxy)anilino]-N-naphthalen-1-ylacetamide
CID 54827574
N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809079
4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
CID 119549182
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
CID 119524189

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide?
The IUPAC name of 4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide (CID 60621848) is 4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide is CC(=O)c1cccc(OCCCC(=O)NCC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide?
The InChIKey is RMKMGMFNVQHDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-17(27)19-9-4-10-20(15-19)30-14-6-13-23(28)25-16-24(29)26-22-12-5-8-18-7-2-3-11-21(18)22/h2-5,7-12,15H,6,13-14,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide?
4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide has a molecular weight of 404.47 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 60621848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).