3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide

C26H36N2O5 — CID 170547906

IUPAC3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
SMILESCCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NC(=O)CCN(CC)CC)c1
InChIInChI=1S/C26H36N2O5/c1-7-28(8-2)15-14-25(29)27-22-18-21(33-9-3)13-12-20(22)11-10-19-16-23(30-4)26(32-6)24(17-19)31-5/h10-13,16-18H,7-9,14-15H2,1-6H3,(H,27,29)/b11-10-
InChIKeyKGUQCFTZJKHCDW-KHPPLWFESA-N
MW456.58 g/mol
LogP4.95
Rot. Bonds13

About 3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide

3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide (PubChem CID 170547906) has the molecular formula C26H36N2O5 and a molecular weight of 456.58 g/mol. Its IUPAC name is 3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
PubChem CID170547906
Molecular FormulaC26H36N2O5
Molecular Weight456.58 g/mol
Exact Mass456.26
IUPAC Name3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
SMILESCCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NC(=O)CCN(CC)CC)c1
InChIInChI=1S/C26H36N2O5/c1-7-28(8-2)15-14-25(29)27-22-18-21(33-9-3)13-12-20(22)11-10-19-16-23(30-4)26(32-6)24(17-19)31-5/h10-13,16-18H,7-9,14-15H2,1-6H3,(H,27,29)/b11-10-
InChIKeyKGUQCFTZJKHCDW-KHPPLWFESA-N
XLogP4.95
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 135360201
3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
CID 167072051
(E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide
CID 134197466
(E)-3-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359431
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
N-[3-amino-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
CID 140732055
(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 135360031
2-amino-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521879
2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
(E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359781
N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4540205
N-(2-aminophenyl)-4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butanamide
CID 164618403

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The IUPAC name of 3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide (CID 170547906) is 3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide.
What is the SMILES notation for 3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The canonical SMILES for 3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide is CCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NC(=O)CCN(CC)CC)c1.
What is the InChIKey of 3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
The InChIKey is KGUQCFTZJKHCDW-KHPPLWFESA-N. The full InChI is InChI=1S/C26H36N2O5/c1-7-28(8-2)15-14-25(29)27-22-18-21(33-9-3)13-12-20(22)11-10-19-16-23(30-4)26(32-6)24(17-19)31-5/h10-13,16-18H,7-9,14-15H2,1-6H3,(H,27,29)/b11-10-.
What are the key properties of 3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide?
3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide has a molecular weight of 456.58 g/mol, XLogP of 4.95, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[5-ethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide is sourced from PubChem (CID 170547906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).