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

C23H25N3O4 — CID 110337304

IUPACN-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(OC)c1OC
InChIInChI=1S/C23H25N3O4/c1-28-20-10-14(11-21(29-2)22(20)30-3)13-24-26-23(27)15-8-9-19-17(12-15)16-6-4-5-7-18(16)25-19/h8-13,25H,4-7H2,1-3H3,(H,26,27)/b24-13+
InChIKeyLWKJQXWDSSATBA-ZMOGYAJESA-N
MW407.47 g/mol
LogP3.84
Rot. Bonds6

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

N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 110337304) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID110337304
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(OC)c1OC
InChIInChI=1S/C23H25N3O4/c1-28-20-10-14(11-21(29-2)22(20)30-3)13-24-26-23(27)15-8-9-19-17(12-15)16-6-4-5-7-18(16)25-19/h8-13,25H,4-7H2,1-3H3,(H,26,27)/b24-13+
InChIKeyLWKJQXWDSSATBA-ZMOGYAJESA-N
XLogP3.84
TPSA84.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110339454
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110337611
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538172
N-[(Z)-(3-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538215
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110338143
2-sulfanylidene-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522957
N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340836
N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340901
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
N-[(Z)-(3-propoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538161
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136787247

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 110337304) is N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is COc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(OC)c1OC.
What is the InChIKey of N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is LWKJQXWDSSATBA-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-20-10-14(11-21(29-2)22(20)30-3)13-24-26-23(27)15-8-9-19-17(12-15)16-6-4-5-7-18(16)25-19/h8-13,25H,4-7H2,1-3H3,(H,26,27)/b24-13+.
What are the key properties of N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 110337304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).