7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C24H25N3O3 — CID 130362516

IUPAC7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(CO)C4)c1C
InChIInChI=1S/C24H25N3O3/c1-3-21(29)26-19-6-4-5-15(13(19)2)16-9-10-18(24(25)30)23-22(16)17-8-7-14(12-28)11-20(17)27-23/h3-6,9-10,14,27-28H,1,7-8,11-12H2,2H3,(H2,25,30)(H,26,29)
InChIKeyTUDUMUASQSTNEX-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.46
Rot. Bonds5

About 7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 130362516) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID130362516
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(CO)C4)c1C
InChIInChI=1S/C24H25N3O3/c1-3-21(29)26-19-6-4-5-15(13(19)2)16-9-10-18(24(25)30)23-22(16)17-8-7-14(12-28)11-20(17)27-23/h3-6,9-10,14,27-28H,1,7-8,11-12H2,2H3,(H2,25,30)(H,26,29)
InChIKeyTUDUMUASQSTNEX-UHFFFAOYSA-N
XLogP3.46
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.46
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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Related Compounds

CID 121293751
CID 121293751
CID 121293832
CID 121293832
CID 121293857
CID 121293857
CID 121293882
CID 121293882
CID 121293911
CID 121293911
CID 121293943
CID 121293943
CID 121293949
CID 121293949
CID 121293963
CID 121293963
CID 121294143
CID 121294143
CID 130362292
CID 130362292
CID 130362493
CID 130362493
CID 132231777
CID 132231777

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of 7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 130362516) is 7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for 7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(CO)C4)c1C.
What is the InChIKey of 7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is TUDUMUASQSTNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-21(29)26-19-6-4-5-15(13(19)2)16-9-10-18(24(25)30)23-22(16)17-8-7-14(12-28)11-20(17)27-23/h3-6,9-10,14,27-28H,1,7-8,11-12H2,2H3,(H2,25,30)(H,26,29).
What are the key properties of 7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 130362516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).