N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H21N3O3 — CID 110339454

IUPACN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1O
InChIInChI=1S/C21H21N3O3/c1-27-20-9-6-13(10-19(20)25)12-22-24-21(26)14-7-8-18-16(11-14)15-4-2-3-5-17(15)23-18/h6-12,23,25H,2-5H2,1H3,(H,24,26)/b22-12+
InChIKeyPCTDDXPXGROZDA-WSDLNYQXSA-N
MW363.42 g/mol
LogP3.52
Rot. Bonds4

About N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 110339454) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID110339454
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1O
InChIInChI=1S/C21H21N3O3/c1-27-20-9-6-13(10-19(20)25)12-22-24-21(26)14-7-8-18-16(11-14)15-4-2-3-5-17(15)23-18/h6-12,23,25H,2-5H2,1H3,(H,24,26)/b22-12+
InChIKeyPCTDDXPXGROZDA-WSDLNYQXSA-N
XLogP3.52
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110337611
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110337304
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538172
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110338143
N-[(Z)-(3-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538215
N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340836
N-[(Z)-(3-propoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538161
N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340901
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 44507928
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136787247
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 110339454) is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is COc1ccc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1O.
What is the InChIKey of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is PCTDDXPXGROZDA-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-20-9-6-13(10-19(20)25)12-22-24-21(26)14-7-8-18-16(11-14)15-4-2-3-5-17(15)23-18/h6-12,23,25H,2-5H2,1H3,(H,24,26)/b22-12+.
What are the key properties of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 110339454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).