(2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide

C17H17NO3 — CID 127257783

IUPAC(2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide
SMILESCCO/C=C(\C(C)=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H17NO3/c1-3-21-11-15(12(2)19)17(20)18-16-10-6-8-13-7-4-5-9-14(13)16/h4-11H,3H2,1-2H3,(H,18,20)/b15-11+
InChIKeyGYDVSNMCQUXBOJ-RVDMUPIBSA-N
MW283.33 g/mol
LogP3.29
Rot. Bonds5

About (2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide

(2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide (PubChem CID 127257783) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide.

Molecular Properties

Compound Name(2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide
PubChem CID127257783
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide
SMILESCCO/C=C(\C(C)=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H17NO3/c1-3-21-11-15(12(2)19)17(20)18-16-10-6-8-13-7-4-5-9-14(13)16/h4-11H,3H2,1-2H3,(H,18,20)/b15-11+
InChIKeyGYDVSNMCQUXBOJ-RVDMUPIBSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide 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

N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-naphthalen-1-yldodecanamide
CID 588517
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
CID 129012663
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
3-(naphthalen-1-ylcarbamoyl)but-3-enoic acid
CID 139970966
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
5-(ethylamino)-N-naphthalen-1-yl-4-oxopentanamide
CID 175505076
ethyl 2-(naphthalen-1-ylcarbamoylimino)propanoate
CID 90911005
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide?
The IUPAC name of (2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide (CID 127257783) is (2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide.
What is the SMILES notation for (2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide?
The canonical SMILES for (2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide is CCO/C=C(\C(C)=O)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide?
The InChIKey is GYDVSNMCQUXBOJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-21-11-15(12(2)19)17(20)18-16-10-6-8-13-7-4-5-9-14(13)16/h4-11H,3H2,1-2H3,(H,18,20)/b15-11+.
What are the key properties of (2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide?
(2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide has a molecular weight of 283.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(ethoxymethylidene)-N-naphthalen-1-yl-3-oxobutanamide is sourced from PubChem (CID 127257783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).