N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide

C23H25N3O3 — CID 136757605

IUPACN-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
SMILESCOc1cc(/C=N\NC(=O)CCn2c3c(c4ccccc42)CCCC3)ccc1O
InChIInChI=1S/C23H25N3O3/c1-29-22-14-16(10-11-21(22)27)15-24-25-23(28)12-13-26-19-8-4-2-6-17(19)18-7-3-5-9-20(18)26/h2,4,6,8,10-11,14-15,27H,3,5,7,9,12-13H2,1H3,(H,25,28)/b24-15-
InChIKeyRWDODPKSDDBAHH-IWIPYMOSSA-N
MW391.47 g/mol
LogP3.77
Rot. Bonds6

About N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide

N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide (PubChem CID 136757605) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
PubChem CID136757605
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
SMILESCOc1cc(/C=N\NC(=O)CCn2c3c(c4ccccc42)CCCC3)ccc1O
InChIInChI=1S/C23H25N3O3/c1-29-22-14-16(10-11-21(22)27)15-24-25-23(28)12-13-26-19-8-4-2-6-17(19)18-7-3-5-9-20(18)26/h2,4,6,8,10-11,14-15,27H,3,5,7,9,12-13H2,1H3,(H,25,28)/b24-15-
InChIKeyRWDODPKSDDBAHH-IWIPYMOSSA-N
XLogP3.77
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

3-carbazol-9-yl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135470781
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 6888778
methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate
CID 6864320
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 1385662
3-(2,3-diphenylindol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135704666
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135683326
N-(pyridin-4-ylmethylideneamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 742363
N-[(E)-(3-nitrophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 6888436
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 2754894
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
3-(benzotriazol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135517146
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684538

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide (CID 136757605) is N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is COc1cc(/C=N\NC(=O)CCn2c3c(c4ccccc42)CCCC3)ccc1O.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
The InChIKey is RWDODPKSDDBAHH-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-29-22-14-16(10-11-21(22)27)15-24-25-23(28)12-13-26-19-8-4-2-6-17(19)18-7-3-5-9-20(18)26/h2,4,6,8,10-11,14-15,27H,3,5,7,9,12-13H2,1H3,(H,25,28)/b24-15-.
What are the key properties of N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide has a molecular weight of 391.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is sourced from PubChem (CID 136757605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).