7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide

C26H25N3O3 — CID 130362493

IUPAC7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)c1C
InChIInChI=1S/C26H25N3O3/c1-5-22(30)28-20-8-6-7-16(14(20)2)17-11-12-19(25(27)31)24-23(17)18-10-9-15(26(3,4)32)13-21(18)29-24/h5-13,29,32H,1H2,2-4H3,(H2,27,31)(H,28,30)
InChIKeyCBPZTKGQKULJMT-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.75
Rot. Bonds5

About 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide

7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide (PubChem CID 130362493) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide
PubChem CID130362493
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)c1C
InChIInChI=1S/C26H25N3O3/c1-5-22(30)28-20-8-6-7-16(14(20)2)17-11-12-19(25(27)31)24-23(17)18-10-9-15(26(3,4)32)13-21(18)29-24/h5-13,29,32H,1H2,2-4H3,(H2,27,31)(H,28,30)
InChIKeyCBPZTKGQKULJMT-UHFFFAOYSA-N
XLogP4.75
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide (CID 130362493) is 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide is C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)c1C.
What is the InChIKey of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide?
The InChIKey is CBPZTKGQKULJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-5-22(30)28-20-8-6-7-16(14(20)2)17-11-12-19(25(27)31)24-23(17)18-10-9-15(26(3,4)32)13-21(18)29-24/h5-13,29,32H,1H2,2-4H3,(H2,27,31)(H,28,30).
What are the key properties of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide?
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 130362493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).