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

C23H25N3O3 — CID 1385662

IUPACN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
SMILESCOc1cccc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)c1O
InChIInChI=1S/C23H25N3O3/c1-29-21-12-6-7-16(23(21)28)15-24-25-22(27)13-14-26-19-10-4-2-8-17(19)18-9-3-5-11-20(18)26/h2,4,6-8,10,12,15,28H,3,5,9,11,13-14H2,1H3,(H,25,27)
InChIKeyIURTZUJXAZIMQN-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.77
Rot. Bonds6

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

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide (PubChem CID 1385662) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
PubChem CID1385662
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
SMILESCOc1cccc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)c1O
InChIInChI=1S/C23H25N3O3/c1-29-21-12-6-7-16(23(21)28)15-24-25-22(27)13-14-26-19-10-4-2-8-17(19)18-9-3-5-11-20(18)26/h2,4,6-8,10,12,15,28H,3,5,9,11,13-14H2,1H3,(H,25,27)
InChIKeyIURTZUJXAZIMQN-UHFFFAOYSA-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': '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-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 136757605
methyl 4-[(E)-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoylhydrazinylidene]methyl]benzoate
CID 6864320
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
CID 6888778
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-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135495779
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135553938
3-carbazol-9-yl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135470781
3-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propanehydrazide
CID 5223647

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
The IUPAC name of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide (CID 1385662) is N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide.
What is the SMILES notation for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
The canonical SMILES for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is COc1cccc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)c1O.
What is the InChIKey of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
The InChIKey is IURTZUJXAZIMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-29-21-12-6-7-16(23(21)28)15-24-25-22(27)13-14-26-19-10-4-2-8-17(19)18-9-3-5-11-20(18)26/h2,4,6-8,10,12,15,28H,3,5,9,11,13-14H2,1H3,(H,25,27).
What are the key properties of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide?
N-[(2-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-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is sourced from PubChem (CID 1385662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).