N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine

C27H29NO — CID 134927460

IUPACN-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine
SMILESC=CCN(OC(CCC)c1ccccc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO/c1-3-14-27(25-19-12-7-13-20-25)29-28(21-4-2)26(24-17-10-6-11-18-24)22-23-15-8-5-9-16-23/h4-13,15-20,22,27H,2-3,14,21H2,1H3/b26-22+
InChIKeyLIRUALHPAZVOEA-XTCLZLMSSA-N
MW383.54 g/mol
LogP7.15
Rot. Bonds10

About N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine

N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine (PubChem CID 134927460) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine
PubChem CID134927460
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC NameN-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine
SMILESC=CCN(OC(CCC)c1ccccc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO/c1-3-14-27(25-19-12-7-13-20-25)29-28(21-4-2)26(24-17-10-6-11-18-24)22-23-15-8-5-9-16-23/h4-13,15-20,22,27H,2-3,14,21H2,1H3/b26-22+
InChIKeyLIRUALHPAZVOEA-XTCLZLMSSA-N
XLogP7.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 57.15
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-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 N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine?
The IUPAC name of N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine (CID 134927460) is N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine.
What is the SMILES notation for N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine?
The canonical SMILES for N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine is C=CCN(OC(CCC)c1ccccc1)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine?
The InChIKey is LIRUALHPAZVOEA-XTCLZLMSSA-N. The full InChI is InChI=1S/C27H29NO/c1-3-14-27(25-19-12-7-13-20-25)29-28(21-4-2)26(24-17-10-6-11-18-24)22-23-15-8-5-9-16-23/h4-13,15-20,22,27H,2-3,14,21H2,1H3/b26-22+.
What are the key properties of N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine?
N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine has a molecular weight of 383.54 g/mol, XLogP of 7.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine is sourced from PubChem (CID 134927460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).