4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide

C21H24N2O4 — CID 87871029

IUPAC4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide
SMILESCOc1cccc(OCC(=O)C(NC2CCCc3ccccc32)C(N)=O)c1
InChIInChI=1S/C21H24N2O4/c1-26-15-8-5-9-16(12-15)27-13-19(24)20(21(22)25)23-18-11-4-7-14-6-2-3-10-17(14)18/h2-3,5-6,8-10,12,18,20,23H,4,7,11,13H2,1H3,(H2,22,25)
InChIKeyJLHOWGYONPDPTP-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.16
Rot. Bonds8

About 4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide

4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide (PubChem CID 87871029) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide
PubChem CID87871029
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide
SMILESCOc1cccc(OCC(=O)C(NC2CCCc3ccccc32)C(N)=O)c1
InChIInChI=1S/C21H24N2O4/c1-26-15-8-5-9-16(12-15)27-13-19(24)20(21(22)25)23-18-11-4-7-14-6-2-3-10-17(14)18/h2-3,5-6,8-10,12,18,20,23H,4,7,11,13H2,1H3,(H2,22,25)
InChIKeyJLHOWGYONPDPTP-UHFFFAOYSA-N
XLogP2.16
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 79238997
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43723688
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 113369459
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
(E)-3-(3-methoxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2710172
methyl 4-methoxy-2-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzoate
CID 7705059
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(3-chlorophenoxy)acetate
CID 16512620
N-ethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 43574212
2-(3-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4819137
2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 48846540
2-amino-4-(4-tert-butylphenoxy)-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 87870974

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide?
The IUPAC name of 4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide (CID 87871029) is 4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide.
What is the SMILES notation for 4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide?
The canonical SMILES for 4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide is COc1cccc(OCC(=O)C(NC2CCCc3ccccc32)C(N)=O)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide?
The InChIKey is JLHOWGYONPDPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-15-8-5-9-16(12-15)27-13-19(24)20(21(22)25)23-18-11-4-7-14-6-2-3-10-17(14)18/h2-3,5-6,8-10,12,18,20,23H,4,7,11,13H2,1H3,(H2,22,25).
What are the key properties of 4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide?
4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide has a molecular weight of 368.43 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide is sourced from PubChem (CID 87871029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).