2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide

C16H21NO4 — CID 43388408

IUPAC2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cc(OCCC)ccc1C=O
InChIInChI=1S/C16H21NO4/c1-4-8-17-16(19)12(3)21-15-10-14(20-9-5-2)7-6-13(15)11-18/h4,6-7,10-12H,1,5,8-9H2,2-3H3,(H,17,19)
InChIKeyNPCMKMFITJGMKX-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.36
Rot. Bonds9

About 2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide

2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide (PubChem CID 43388408) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide
PubChem CID43388408
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cc(OCCC)ccc1C=O
InChIInChI=1S/C16H21NO4/c1-4-8-17-16(19)12(3)21-15-10-14(20-9-5-2)7-6-13(15)11-18/h4,6-7,10-12H,1,5,8-9H2,2-3H3,(H,17,19)
InChIKeyNPCMKMFITJGMKX-UHFFFAOYSA-N
XLogP2.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide 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-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide
CID 61267753
2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide
CID 61267567
(2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide
CID 7960429
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 43324815
2-(2-formyl-5-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 61269972
2-(2-formyl-5-propoxyphenoxy)butanamide
CID 62901200
2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 61267937
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
N-prop-2-enyl-2-(4-propoxyanilino)propanamide
CID 62328512
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide (CID 43388408) is 2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1cc(OCCC)ccc1C=O.
What is the InChIKey of 2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide?
The InChIKey is NPCMKMFITJGMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-4-8-17-16(19)12(3)21-15-10-14(20-9-5-2)7-6-13(15)11-18/h4,6-7,10-12H,1,5,8-9H2,2-3H3,(H,17,19).
What are the key properties of 2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide?
2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43388408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).