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

C22H23N3O3 — CID 136787247

IUPACN-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCOc1cccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1O
InChIInChI=1S/C22H23N3O3/c1-2-28-20-9-5-6-15(21(20)26)13-23-25-22(27)14-10-11-19-17(12-14)16-7-3-4-8-18(16)24-19/h5-6,9-13,24,26H,2-4,7-8H2,1H3,(H,25,27)/b23-13-
InChIKeyXDAPUNCGPOMFRY-QRVIBDJDSA-N
MW377.44 g/mol
LogP3.91
Rot. Bonds5

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

N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 136787247) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID136787247
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCOc1cccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1O
InChIInChI=1S/C22H23N3O3/c1-2-28-20-9-5-6-15(21(20)26)13-23-25-22(27)14-10-11-19-17(12-14)16-7-3-4-8-18(16)24-19/h5-6,9-13,24,26H,2-4,7-8H2,1H3,(H,25,27)/b23-13-
InChIKeyXDAPUNCGPOMFRY-QRVIBDJDSA-N
XLogP3.91
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340901
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110510740
N-[(Z)-(3-propoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538161
4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
N-[(Z)-(3-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538215
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110337304
N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136732980
4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 1356754
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110339454
N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340836
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538172
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110336948

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 136787247) is N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CCOc1cccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1O.
What is the InChIKey of N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is XDAPUNCGPOMFRY-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-28-20-9-5-6-15(21(20)26)13-23-25-22(27)14-10-11-19-17(12-14)16-7-3-4-8-18(16)24-19/h5-6,9-13,24,26H,2-4,7-8H2,1H3,(H,25,27)/b23-13-.
What are the key properties of N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 136787247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).