2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide

C24H35N3O3 — CID 14306906

IUPAC2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide
SMILESC=CCc1cc(C)ccc1OCC(=O)NCCCNC(=O)C1=CC(C)(C)NC1(C)C
InChIInChI=1S/C24H35N3O3/c1-7-9-18-14-17(2)10-11-20(18)30-16-21(28)25-12-8-13-26-22(29)19-15-23(3,4)27-24(19,5)6/h7,10-11,14-15,27H,1,8-9,12-13,16H2,2-6H3,(H,25,28)(H,26,29)
InChIKeyYCVHNJLNGLKACX-UHFFFAOYSA-N
MW413.56 g/mol
LogP2.81
Rot. Bonds10

About 2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide

2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide (PubChem CID 14306906) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide
PubChem CID14306906
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide
SMILESC=CCc1cc(C)ccc1OCC(=O)NCCCNC(=O)C1=CC(C)(C)NC1(C)C
InChIInChI=1S/C24H35N3O3/c1-7-9-18-14-17(2)10-11-20(18)30-16-21(28)25-12-8-13-26-22(29)19-15-23(3,4)27-24(19,5)6/h7,10-11,14-15,27H,1,8-9,12-13,16H2,2-6H3,(H,25,28)(H,26,29)
InChIKeyYCVHNJLNGLKACX-UHFFFAOYSA-N
XLogP2.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide (CID 14306906) is 2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide is C=CCc1cc(C)ccc1OCC(=O)NCCCNC(=O)C1=CC(C)(C)NC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide?
The InChIKey is YCVHNJLNGLKACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-7-9-18-14-17(2)10-11-20(18)30-16-21(28)25-12-8-13-26-22(29)19-15-23(3,4)27-24(19,5)6/h7,10-11,14-15,27H,1,8-9,12-13,16H2,2-6H3,(H,25,28)(H,26,29).
What are the key properties of 2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide?
2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 2.81, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[3-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]propyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 14306906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).