(Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine

C₂₅H₃₅NO₆ — CID 21446850

About (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine

(Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine (PubChem CID 21446850) has the molecular formula C₂₅H₃₅NO₆ and a molecular weight of 445.56 g/mol. Its IUPAC name is (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

• Compound Name: (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
• PubChem CID: 21446850
• Molecular Formula: C₂₅H₃₅NO₆
• Molecular Weight: 445.56 g/mol
• Exact Mass: 445.25
• IUPAC Name: (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
• SMILES: CCN(CC)C/C(=C\c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1
• InChI: InChI=1S/C25H35NO6/c1-9-26(10-2)16-19(18-14-22(29-5)25(32-8)23(15-18)30-6)11-17-12-20(27-3)24(31-7)21(13-17)28-4/h11-15H,9-10,16H2,1-8H3/b19-11+
• InChIKey: LHCLGHSTLRDFSC-YBFXNURJSA-N
• XLogP: 4.62
• TPSA: 58.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.56
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?

The IUPAC name of (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine (CID 21446850) is (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine.

What is the SMILES notation for (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?

The canonical SMILES for (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine is CCN(CC)C/C(=C\c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1.

What is the InChIKey of (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?

The InChIKey is LHCLGHSTLRDFSC-YBFXNURJSA-N. The full InChI is InChI=1S/C25H35NO6/c1-9-26(10-2)16-19(18-14-22(29-5)25(32-8)23(15-18)30-6)11-17-12-20(27-3)24(31-7)21(13-17)28-4/h11-15H,9-10,16H2,1-8H3/b19-11+.

What are the key properties of (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?

(Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine has a molecular weight of 445.56 g/mol, XLogP of 4.62, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 21446850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 21446850 — identifiers, structure, computed properties (public domain)

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