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

C23H25N3O2 — CID 110340901

IUPACN-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC(C)Oc1ccccc1/C=N/NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C23H25N3O2/c1-15(2)28-22-10-6-3-7-17(22)14-24-26-23(27)16-11-12-21-19(13-16)18-8-4-5-9-20(18)25-21/h3,6-7,10-15,25H,4-5,8-9H2,1-2H3,(H,26,27)/b24-14+
InChIKeyPLUURIYHNLDLEM-ZVHZXABRSA-N
MW375.47 g/mol
LogP4.60
Rot. Bonds5

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

N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 110340901) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID110340901
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC(C)Oc1ccccc1/C=N/NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C23H25N3O2/c1-15(2)28-22-10-6-3-7-17(22)14-24-26-23(27)16-11-12-21-19(13-16)18-8-4-5-9-20(18)25-21/h3,6-7,10-15,25H,4-5,8-9H2,1-2H3,(H,26,27)/b24-14+
InChIKeyPLUURIYHNLDLEM-ZVHZXABRSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.60
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-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340836
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136787247
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110510740
N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136732980
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110337304
4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153
6-methyl-N-[(Z)-(2-methylphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110511130
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110336948
N-[(Z)-(3-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538215
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110339454
N-[(Z)-furan-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538210

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 110340901) is N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CC(C)Oc1ccccc1/C=N/NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is PLUURIYHNLDLEM-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)28-22-10-6-3-7-17(22)14-24-26-23(27)16-11-12-21-19(13-16)18-8-4-5-9-20(18)25-21/h3,6-7,10-15,25H,4-5,8-9H2,1-2H3,(H,26,27)/b24-14+.
What are the key properties of N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 110340901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).