4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine

C24H29NO — CID 10936952

IUPAC4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine
SMILESCCCC1(N(C)C)C=C(OCC)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C24H29NO/c1-5-17-24(25(3)4)18-21(26-6-2)22(19-13-9-7-10-14-19)23(24)20-15-11-8-12-16-20/h7-16,18H,5-6,17H2,1-4H3
InChIKeyUYHPTTLUGVDUKG-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.63
Rot. Bonds7

About 4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine

4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine (PubChem CID 10936952) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine.

Molecular Properties

Compound Name4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine
PubChem CID10936952
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine
SMILESCCCC1(N(C)C)C=C(OCC)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C24H29NO/c1-5-17-24(25(3)4)18-21(26-6-2)22(19-13-9-7-10-14-19)23(24)20-15-11-8-12-16-20/h7-16,18H,5-6,17H2,1-4H3
InChIKeyUYHPTTLUGVDUKG-UHFFFAOYSA-N
XLogP5.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine?
The IUPAC name of 4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine (CID 10936952) is 4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine.
What is the SMILES notation for 4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine?
The canonical SMILES for 4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine is CCCC1(N(C)C)C=C(OCC)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine?
The InChIKey is UYHPTTLUGVDUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-5-17-24(25(3)4)18-21(26-6-2)22(19-13-9-7-10-14-19)23(24)20-15-11-8-12-16-20/h7-16,18H,5-6,17H2,1-4H3.
What are the key properties of 4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine?
4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine has a molecular weight of 347.50 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-dimethyl-2,3-diphenyl-1-propylcyclopenta-2,4-dien-1-amine is sourced from PubChem (CID 10936952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).