N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide

C20H24N2O3 — CID 54824851

IUPACN-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
SMILESC=CCOc1cccc(NC(=O)CNc2cccc(OCCC)c2)c1
InChIInChI=1S/C20H24N2O3/c1-3-11-24-18-9-5-7-16(13-18)21-15-20(23)22-17-8-6-10-19(14-17)25-12-4-2/h4-10,13-14,21H,2-3,11-12,15H2,1H3,(H,22,23)
InChIKeyJABMVYYEVRVPOF-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.09
Rot. Bonds10

About N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide

N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide (PubChem CID 54824851) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
PubChem CID54824851
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
SMILESC=CCOc1cccc(NC(=O)CNc2cccc(OCCC)c2)c1
InChIInChI=1S/C20H24N2O3/c1-3-11-24-18-9-5-7-16(13-18)21-15-20(23)22-17-8-6-10-19(14-17)25-12-4-2/h4-10,13-14,21H,2-3,11-12,15H2,1H3,(H,22,23)
InChIKeyJABMVYYEVRVPOF-UHFFFAOYSA-N
XLogP4.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
2-(2-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54824256
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
N-(4-methylphenyl)-2-(3-propoxyanilino)acetamide
CID 36860720
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(4-bromophenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826542
2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54815945

Frequently Asked Questions

What is the IUPAC name of N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide?
The IUPAC name of N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide (CID 54824851) is N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide.
What is the SMILES notation for N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide?
The canonical SMILES for N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide is C=CCOc1cccc(NC(=O)CNc2cccc(OCCC)c2)c1.
What is the InChIKey of N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide?
The InChIKey is JABMVYYEVRVPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-11-24-18-9-5-7-16(13-18)21-15-20(23)22-17-8-6-10-19(14-17)25-12-4-2/h4-10,13-14,21H,2-3,11-12,15H2,1H3,(H,22,23).
What are the key properties of N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide?
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide has a molecular weight of 340.42 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide is sourced from PubChem (CID 54824851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).