3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine

C28H33N3O — CID 18334577

IUPAC3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine
SMILESCCO/N=c1\c2ccccc2n(CCCNC(C)c2ccccc2)c2c(C)c(C)ccc12
InChIInChI=1S/C28H33N3O/c1-5-32-30-27-24-14-9-10-15-26(24)31(28-21(3)20(2)16-17-25(27)28)19-11-18-29-22(4)23-12-7-6-8-13-23/h6-10,12-17,22,29H,5,11,18-19H2,1-4H3/b30-27+
InChIKeyZEEDXNSGCGGBKN-KDJFERLWSA-N
MW427.59 g/mol
LogP6.00
Rot. Bonds8

About 3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine

3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine (PubChem CID 18334577) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is 3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine
PubChem CID18334577
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC Name3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine
SMILESCCO/N=c1\c2ccccc2n(CCCNC(C)c2ccccc2)c2c(C)c(C)ccc12
InChIInChI=1S/C28H33N3O/c1-5-32-30-27-24-14-9-10-15-26(24)31(28-21(3)20(2)16-17-25(27)28)19-11-18-29-22(4)23-12-7-6-8-13-23/h6-10,12-17,22,29H,5,11,18-19H2,1-4H3/b30-27+
InChIKeyZEEDXNSGCGGBKN-KDJFERLWSA-N
XLogP6.00
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine?
The IUPAC name of 3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine (CID 18334577) is 3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine?
The canonical SMILES for 3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine is CCO/N=c1\c2ccccc2n(CCCNC(C)c2ccccc2)c2c(C)c(C)ccc12.
What is the InChIKey of 3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine?
The InChIKey is ZEEDXNSGCGGBKN-KDJFERLWSA-N. The full InChI is InChI=1S/C28H33N3O/c1-5-32-30-27-24-14-9-10-15-26(24)31(28-21(3)20(2)16-17-25(27)28)19-11-18-29-22(4)23-12-7-6-8-13-23/h6-10,12-17,22,29H,5,11,18-19H2,1-4H3/b30-27+.
What are the key properties of 3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine?
3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine has a molecular weight of 427.59 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9E)-9-ethoxyimino-3,4-dimethylacridin-10-yl]-N-(1-phenylethyl)propan-1-amine is sourced from PubChem (CID 18334577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).