2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide

C22H25N3O3 — CID 145160030

IUPAC2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide
SMILESCOCCNc1cc(-n2c3c(c4c2=CCCC=4)C(=O)CCC3)ccc1C(N)=O
InChIInChI=1S/C22H25N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h5-6,9-10,13,24H,2-4,7-8,11-12H2,1H3,(H2,23,27)
InChIKeyUHXWTKJLHHIVEU-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.51
Rot. Bonds6

About 2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide

2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide (PubChem CID 145160030) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide
PubChem CID145160030
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide
SMILESCOCCNc1cc(-n2c3c(c4c2=CCCC=4)C(=O)CCC3)ccc1C(N)=O
InChIInChI=1S/C22H25N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h5-6,9-10,13,24H,2-4,7-8,11-12H2,1H3,(H2,23,27)
InChIKeyUHXWTKJLHHIVEU-UHFFFAOYSA-N
XLogP1.51
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one
CID 139394380
2-(3-methoxypropylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 66952874
1-[4-carbamoyl-3-(3-methoxypropylamino)phenyl]-3-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carbonyl fluoride
CID 130348186
2-bromo-4-(2,3-dimethyl-4-oxo-6,7-dihydro-5H-indol-1-yl)benzamide
CID 145288536
2-[3-(2-ethoxyethoxy)propylamino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 162785596
4-(2-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide
CID 66952445
2-[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 90075515
4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide
CID 66563218
2-[2-(dimethylamino)ethylamino]-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952851
2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 67270809
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 118728492
2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide
CID 63870027

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide?
The IUPAC name of 2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide (CID 145160030) is 2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide?
The canonical SMILES for 2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide is COCCNc1cc(-n2c3c(c4c2=CCCC=4)C(=O)CCC3)ccc1C(N)=O.
What is the InChIKey of 2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide?
The InChIKey is UHXWTKJLHHIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h5-6,9-10,13,24H,2-4,7-8,11-12H2,1H3,(H2,23,27).
What are the key properties of 2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide?
2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide has a molecular weight of 379.46 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-4-(4-oxo-2,3,6,7-tetrahydro-1H-carbazol-9-yl)benzamide is sourced from PubChem (CID 145160030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).