3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide

C25H34N2O5 — CID 167072152

IUPAC3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide
SMILESCOc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1NC(=O)CCN(CCO)CCO
InChIInChI=1S/C25H34N2O5/c1-18-15-21(17-24(32-4)19(18)2)6-5-20-7-8-23(31-3)22(16-20)26-25(30)9-10-27(11-13-28)12-14-29/h5-8,15-17,28-29H,9-14H2,1-4H3,(H,26,30)/b6-5-
InChIKeyBWHYSHPPHZASLS-WAYWQWQTSA-N
MW442.56 g/mol
LogP3.11
Rot. Bonds12

About 3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide

3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide (PubChem CID 167072152) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide
PubChem CID167072152
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide
SMILESCOc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1NC(=O)CCN(CCO)CCO
InChIInChI=1S/C25H34N2O5/c1-18-15-21(17-24(32-4)19(18)2)6-5-20-7-8-23(31-3)22(16-20)26-25(30)9-10-27(11-13-28)12-14-29/h5-8,15-17,28-29H,9-14H2,1-4H3,(H,26,30)/b6-5-
InChIKeyBWHYSHPPHZASLS-WAYWQWQTSA-N
XLogP3.11
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(dipropylamino)-N-[2-(2,2,2-trifluoroethoxy)-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
CID 167072051
2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
2-amino-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521879
[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium
CID 58281563
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
3-[4-methoxy-3-(3-methylsulfanylpropanoylamino)phenyl]prop-2-enoic acid
CID 77021721
2-bromo-N-(5-formyl-2-methoxyphenyl)acetamide
CID 169448896
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
3-[2-hydroxyethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 62020448
[(2S)-3-hydroxy-1-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-oxopropan-2-yl]azanium chloride
CID 135019706
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
1-(2-hydroxyethyl)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]piperidine-4-carboxamide
CID 90290240

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide (CID 167072152) is 3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide is COc1ccc(/C=C\c2cc(C)c(C)c(OC)c2)cc1NC(=O)CCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide?
The InChIKey is BWHYSHPPHZASLS-WAYWQWQTSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-18-15-21(17-24(32-4)19(18)2)6-5-20-7-8-23(31-3)22(16-20)26-25(30)9-10-27(11-13-28)12-14-29/h5-8,15-17,28-29H,9-14H2,1-4H3,(H,26,30)/b6-5-.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide?
3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide has a molecular weight of 442.56 g/mol, XLogP of 3.11, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-N-[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]propanamide is sourced from PubChem (CID 167072152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).