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

C26H27N3O3 — CID 175009357

IUPAC7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide
SMILESCC(C=O)CNc1ccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cc1
InChIInChI=1S/C26H27N3O3/c1-15(14-30)13-28-18-7-4-16(5-8-18)19-10-11-21(25(27)31)24-23(19)20-9-6-17(26(2,3)32)12-22(20)29-24/h4-12,14-15,28-29,32H,13H2,1-3H3,(H2,27,31)
InChIKeyIQBPSSWNXFXTHB-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.56
Rot. Bonds7

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

7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide (PubChem CID 175009357) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide
PubChem CID175009357
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide
SMILESCC(C=O)CNc1ccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cc1
InChIInChI=1S/C26H27N3O3/c1-15(14-30)13-28-18-7-4-16(5-8-18)19-10-11-21(25(27)31)24-23(19)20-9-6-17(26(2,3)32)12-22(20)29-24/h4-12,14-15,28-29,32H,13H2,1-3H3,(H2,27,31)
InChIKeyIQBPSSWNXFXTHB-UHFFFAOYSA-N
XLogP4.56
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide (CID 175009357) is 7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide is CC(C=O)CNc1ccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cc1.
What is the InChIKey of 7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide?
The InChIKey is IQBPSSWNXFXTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-15(14-30)13-28-18-7-4-16(5-8-18)19-10-11-21(25(27)31)24-23(19)20-9-6-17(26(2,3)32)12-22(20)29-24/h4-12,14-15,28-29,32H,13H2,1-3H3,(H2,27,31).
What are the key properties of 7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide?
7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.56, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropan-2-yl)-4-[4-[(2-methyl-3-oxopropyl)amino]phenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 175009357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).