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

C25H35NO6 — CID 21446850

IUPAC(Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESCCN(CC)C/C(=C\c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=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+
InChIKeyLHCLGHSTLRDFSC-YBFXNURJSA-N
MW445.56 g/mol
LogP4.62
Rot. Bonds12

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 CID21446850
Molecular FormulaC25H35NO6
Molecular Weight445.56 g/mol
Exact Mass445.25
IUPAC Name(Z)-N,N-diethyl-2,3-bis(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESCCN(CC)C/C(=C\c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=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+
InChIKeyLHCLGHSTLRDFSC-YBFXNURJSA-N
XLogP4.62
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide;hydrochloride
CID 139594638
(3E)-3-[(3,4,5-trimethoxyphenyl)methylidene]heptane-2,4-dione
CID 134518332
2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
CID 20292
(Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine
CID 142155659
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
N-[(Z)-3-[2-(diethylamino)ethylamino]-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]-3,4,5-trimethoxybenzamide
CID 6366824
(2E)-2-[[4-(diethylamino)phenyl]methylidene]-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 70146964
5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175336601
diethyl (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]butanedioate
CID 177384775
2-[butan-2-yl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 119955341
2-(2-methoxyethoxymethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 54335821
diethyl 2-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethylidene]propanedioate
CID 102337359

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).