6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C24H27N3O2 — CID 110511065

IUPAC6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC1CCc2[nH]c3ccc(C(=O)N/N=C\c4cccc(OC(C)C)c4)cc3c2C1
InChIInChI=1S/C24H27N3O2/c1-15(2)29-19-6-4-5-17(12-19)14-25-27-24(28)18-8-10-23-21(13-18)20-11-16(3)7-9-22(20)26-23/h4-6,8,10,12-16,26H,7,9,11H2,1-3H3,(H,27,28)/b25-14-
InChIKeyZLGBMPQFUMRIQO-QFEZKATASA-N
MW389.50 g/mol
LogP4.84
Rot. Bonds5

About 6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 110511065) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID110511065
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC1CCc2[nH]c3ccc(C(=O)N/N=C\c4cccc(OC(C)C)c4)cc3c2C1
InChIInChI=1S/C24H27N3O2/c1-15(2)29-19-6-4-5-17(12-19)14-25-27-24(28)18-8-10-23-21(13-18)20-11-16(3)7-9-22(20)26-23/h4-6,8,10,12-16,26H,7,9,11H2,1-3H3,(H,27,28)/b25-14-
InChIKeyZLGBMPQFUMRIQO-QFEZKATASA-N
XLogP4.84
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-ethoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511136
N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340836
6-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511023
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136787307
6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511130
N-[(Z)-(3-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538215
N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511084
6-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511148
N-[(Z)-(3-propoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538161
N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511110
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511145
4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509128

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of 6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 110511065) is 6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CC1CCc2[nH]c3ccc(C(=O)N/N=C\c4cccc(OC(C)C)c4)cc3c2C1.
What is the InChIKey of 6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is ZLGBMPQFUMRIQO-QFEZKATASA-N. The full InChI is InChI=1S/C24H27N3O2/c1-15(2)29-19-6-4-5-17(12-19)14-25-27-24(28)18-8-10-23-21(13-18)20-11-16(3)7-9-22(20)26-23/h4-6,8,10,12-16,26H,7,9,11H2,1-3H3,(H,27,28)/b25-14-.
What are the key properties of 6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 110511065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).