N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride

C25H38ClN3O4 — CID 14306921

IUPACN-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESC=CCc1ccc(OC(C)C(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1.Cl
InChIInChI=1S/C25H37N3O4.ClH/c1-8-10-18-11-12-20(21(15-18)31-7)32-17(2)22(29)26-13-9-14-27-23(30)19-16-24(3,4)28-25(19,5)6;/h8,11-12,15-17,28H,1,9-10,13-14H2,2-7H3,(H,26,29)(H,27,30);1H
InChIKeyVYKUUGWLGUNBAA-UHFFFAOYSA-N
MW480.05 g/mol
LogP3.32
Rot. Bonds11

About N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride

N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 14306921) has the molecular formula C25H38ClN3O4 and a molecular weight of 480.05 g/mol. Its IUPAC name is N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID14306921
Molecular FormulaC25H38ClN3O4
Molecular Weight480.05 g/mol
Exact Mass479.26
IUPAC NameN-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESC=CCc1ccc(OC(C)C(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1.Cl
InChIInChI=1S/C25H37N3O4.ClH/c1-8-10-18-11-12-20(21(15-18)31-7)32-17(2)22(29)26-13-9-14-27-23(30)19-16-24(3,4)28-25(19,5)6;/h8,11-12,15-17,28H,1,9-10,13-14H2,2-7H3,(H,26,29)(H,27,30);1H
InChIKeyVYKUUGWLGUNBAA-UHFFFAOYSA-N
XLogP3.32
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.05
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride (CID 14306921) is N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride is C=CCc1ccc(OC(C)C(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1.Cl.
What is the InChIKey of N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is VYKUUGWLGUNBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4.ClH/c1-8-10-18-11-12-20(21(15-18)31-7)32-17(2)22(29)26-13-9-14-27-23(30)19-16-24(3,4)28-25(19,5)6;/h8,11-12,15-17,28H,1,9-10,13-14H2,2-7H3,(H,26,29)(H,27,30);1H.
What are the key properties of N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride?
N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 480.05 g/mol, XLogP of 3.32, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methoxy-4-prop-2-enylphenoxy)propanoylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 14306921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).