2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide

C24H25N3O3 — CID 25167503

IUPAC2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide
SMILESNC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1NC1CCOCC1
InChIInChI=1S/C24H25N3O3/c25-24(29)17-9-8-16(14-19(17)26-15-10-12-30-13-11-15)27-20-5-2-1-4-18(20)23-21(27)6-3-7-22(23)28/h1-2,4-5,8-9,14-15,26H,3,6-7,10-13H2,(H2,25,29)
InChIKeyFPSWARSOCCSFPD-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.84
Rot. Bonds4

About 2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide

2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide (PubChem CID 25167503) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide.

Molecular Properties

Compound Name2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide
PubChem CID25167503
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide
SMILESNC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1NC1CCOCC1
InChIInChI=1S/C24H25N3O3/c25-24(29)17-9-8-16(14-19(17)26-15-10-12-30-13-11-15)27-20-5-2-1-4-18(20)23-21(27)6-3-7-22(23)28/h1-2,4-5,8-9,14-15,26H,3,6-7,10-13H2,(H2,25,29)
InChIKeyFPSWARSOCCSFPD-UHFFFAOYSA-N
XLogP3.84
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide?
The IUPAC name of 2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide (CID 25167503) is 2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide.
What is the SMILES notation for 2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide?
The canonical SMILES for 2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide is NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1NC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide?
The InChIKey is FPSWARSOCCSFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c25-24(29)17-9-8-16(14-19(17)26-15-10-12-30-13-11-15)27-20-5-2-1-4-18(20)23-21(27)6-3-7-22(23)28/h1-2,4-5,8-9,14-15,26H,3,6-7,10-13H2,(H2,25,29).
What are the key properties of 2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide?
2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide has a molecular weight of 403.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide is sourced from PubChem (CID 25167503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).