N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide

C20H23N3O3 — CID 54826616

IUPACN-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
SMILESC=CCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2)c1
InChIInChI=1S/C20H23N3O3/c1-3-11-26-18-10-6-7-15(13-18)21-14-20(25)23-17-9-5-8-16(12-17)22-19(24)4-2/h3,5-10,12-13,21H,1,4,11,14H2,2H3,(H,22,24)(H,23,25)
InChIKeyYMSCRJDRIDYVMF-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.65
Rot. Bonds9

About N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide

N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54826616) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
PubChem CID54826616
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
SMILESC=CCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2)c1
InChIInChI=1S/C20H23N3O3/c1-3-11-26-18-10-6-7-15(13-18)21-14-20(25)23-17-9-5-8-16(12-17)22-19(24)4-2/h3,5-10,12-13,21H,1,4,11,14H2,2H3,(H,22,24)(H,23,25)
InChIKeyYMSCRJDRIDYVMF-UHFFFAOYSA-N
XLogP3.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide 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-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
CID 54826343
2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
N-(4-bromophenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826542
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821414
N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826479
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide (CID 54826616) is N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide is C=CCOc1cccc(NCC(=O)Nc2cccc(NC(=O)CC)c2)c1.
What is the InChIKey of N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is YMSCRJDRIDYVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-11-26-18-10-6-7-15(13-18)21-14-20(25)23-17-9-5-8-16(12-17)22-19(24)4-2/h3,5-10,12-13,21H,1,4,11,14H2,2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 353.42 g/mol, XLogP of 3.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54826616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).