4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide

C19H26N2O2 — CID 126817334

IUPAC4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
SMILESC=CCC1(C(=O)Nc2ccc(N3CCCC3)cc2)CCOCC1
InChIInChI=1S/C19H26N2O2/c1-2-9-19(10-14-23-15-11-19)18(22)20-16-5-7-17(8-6-16)21-12-3-4-13-21/h2,5-8H,1,3-4,9-15H2,(H,20,22)
InChIKeyAHZVFFOJNALWTM-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.60
Rot. Bonds5

About 4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide

4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide (PubChem CID 126817334) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
PubChem CID126817334
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
SMILESC=CCC1(C(=O)Nc2ccc(N3CCCC3)cc2)CCOCC1
InChIInChI=1S/C19H26N2O2/c1-2-9-19(10-14-23-15-11-19)18(22)20-16-5-7-17(8-6-16)21-12-3-4-13-21/h2,5-8H,1,3-4,9-15H2,(H,20,22)
InChIKeyAHZVFFOJNALWTM-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-prop-2-enyl-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108970930
5-[(4-prop-2-enyloxane-4-carbonyl)amino]-1-benzothiophene-2-carboxylic acid
CID 146134104
1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81178816
4-(aminomethyl)-N-(3-pyrrolidin-1-ylphenyl)oxane-4-carboxamide;dihydrochloride
CID 120939637
1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 18200139
1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 65463655
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63180680
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320
4-(aminomethyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]oxane-4-carboxamide
CID 120939966
4-(aminomethyl)-N-[4-(prop-2-enylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926631
4-(aminomethyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939965
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide?
The IUPAC name of 4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide (CID 126817334) is 4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide is C=CCC1(C(=O)Nc2ccc(N3CCCC3)cc2)CCOCC1.
What is the InChIKey of 4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide?
The InChIKey is AHZVFFOJNALWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-9-19(10-14-23-15-11-19)18(22)20-16-5-7-17(8-6-16)21-12-3-4-13-21/h2,5-8H,1,3-4,9-15H2,(H,20,22).
What are the key properties of 4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide?
4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 126817334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).