(Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine

C24H31NO — CID 134926235

IUPAC(Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine
SMILESC=CCN(OC(CCC)c1ccccc1)C(C)C/C=C\c1ccccc1
InChIInChI=1S/C24H31NO/c1-4-13-24(23-18-10-7-11-19-23)26-25(20-5-2)21(3)14-12-17-22-15-8-6-9-16-22/h5-12,15-19,21,24H,2,4,13-14,20H2,1,3H3/b17-12-
InChIKeyPPMASHGAQFBPAL-ATVHPVEESA-N
MW349.52 g/mol
LogP6.44
Rot. Bonds11

About (Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine

(Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine (PubChem CID 134926235) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is (Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine.

Molecular Properties

Compound Name(Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine
PubChem CID134926235
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name(Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine
SMILESC=CCN(OC(CCC)c1ccccc1)C(C)C/C=C\c1ccccc1
InChIInChI=1S/C24H31NO/c1-4-13-24(23-18-10-7-11-19-23)26-25(20-5-2)21(3)14-12-17-22-15-8-6-9-16-22/h5-12,15-19,21,24H,2,4,13-14,20H2,1,3H3/b17-12-
InChIKeyPPMASHGAQFBPAL-ATVHPVEESA-N
XLogP6.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine?
The IUPAC name of (Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine (CID 134926235) is (Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine.
What is the SMILES notation for (Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine?
The canonical SMILES for (Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine is C=CCN(OC(CCC)c1ccccc1)C(C)C/C=C\c1ccccc1.
What is the InChIKey of (Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine?
The InChIKey is PPMASHGAQFBPAL-ATVHPVEESA-N. The full InChI is InChI=1S/C24H31NO/c1-4-13-24(23-18-10-7-11-19-23)26-25(20-5-2)21(3)14-12-17-22-15-8-6-9-16-22/h5-12,15-19,21,24H,2,4,13-14,20H2,1,3H3/b17-12-.
What are the key properties of (Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine?
(Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine has a molecular weight of 349.52 g/mol, XLogP of 6.44, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-2-amine is sourced from PubChem (CID 134926235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).