3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide

C25H25N3O2 — CID 4304112

IUPAC3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide
SMILESCCOc1ccc(C(C)=NNC(=O)CCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C25H25N3O2/c1-3-30-20-14-12-19(13-15-20)18(2)26-27-25(29)16-17-28-23-10-6-4-8-21(23)22-9-5-7-11-24(22)28/h4-15H,3,16-17H2,1-2H3,(H,27,29)
InChIKeyWNNDTIKYPZWSRS-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.12
Rot. Bonds7

About 3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide

3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide (PubChem CID 4304112) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide.

Molecular Properties

Compound Name3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide
PubChem CID4304112
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide
SMILESCCOc1ccc(C(C)=NNC(=O)CCn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C25H25N3O2/c1-3-30-20-14-12-19(13-15-20)18(2)26-27-25(29)16-17-28-23-10-6-4-8-21(23)22-9-5-7-11-24(22)28/h4-15H,3,16-17H2,1-2H3,(H,27,29)
InChIKeyWNNDTIKYPZWSRS-UHFFFAOYSA-N
XLogP5.12
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-1-(4-hydroxyphenyl)ethylideneamino]propanamide
CID 135438871
3-carbazol-9-yl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]propanamide
CID 136913813
3-carbazol-9-yl-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]propanamide
CID 6311614
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
CID 3694468
3-carbazol-9-yl-N-[1-(furan-2-yl)ethylideneamino]propanamide
CID 742193
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-(N-methylanilino)acetamide
CID 171978970
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
CID 17340092
N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 6067598
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 94844743

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide?
The IUPAC name of 3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide (CID 4304112) is 3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide.
What is the SMILES notation for 3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide?
The canonical SMILES for 3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide is CCOc1ccc(C(C)=NNC(=O)CCn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide?
The InChIKey is WNNDTIKYPZWSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-30-20-14-12-19(13-15-20)18(2)26-27-25(29)16-17-28-23-10-6-4-8-21(23)22-9-5-7-11-24(22)28/h4-15H,3,16-17H2,1-2H3,(H,27,29).
What are the key properties of 3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide?
3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide has a molecular weight of 399.49 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide is sourced from PubChem (CID 4304112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).