2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide

C24H30N2O4 — CID 156540049

IUPAC2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide
SMILESCCOc1cc(O)cc(C=Cc2ccc(NC(=O)CN)c(OC)c2)c1CC=C(C)C
InChIInChI=1S/C24H30N2O4/c1-5-30-22-14-19(27)13-18(20(22)10-6-16(2)3)9-7-17-8-11-21(23(12-17)29-4)26-24(28)15-25/h6-9,11-14,27H,5,10,15,25H2,1-4H3,(H,26,28)
InChIKeyKCQSTWRNHRVMNR-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.38
Rot. Bonds9

About 2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide

2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide (PubChem CID 156540049) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide
PubChem CID156540049
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide
SMILESCCOc1cc(O)cc(C=Cc2ccc(NC(=O)CN)c(OC)c2)c1CC=C(C)C
InChIInChI=1S/C24H30N2O4/c1-5-30-22-14-19(27)13-18(20(22)10-6-16(2)3)9-7-17-8-11-21(23(12-17)29-4)26-24(28)15-25/h6-9,11-14,27H,5,10,15,25H2,1-4H3,(H,26,28)
InChIKeyKCQSTWRNHRVMNR-UHFFFAOYSA-N
XLogP4.38
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyanilino]-2-oxoacetic acid
CID 156540031
3-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-(3-methylbut-2-enoxy)-4-(3-methylbut-2-enyl)phenol
CID 78078052
3-[(E)-2-(4-amino-3-methoxyphenyl)ethenyl]-5-methoxy-4-(3-methylbut-2-enyl)phenol
CID 156540053
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
5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-(3-methylbut-2-enyl)benzene-1,3-diol;4-[(E)-2-[5-hydroxy-3-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,2-diol;5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-(3-methylbut-2-enyl)benzene-1,3-diol;4-[(E)-2-[5-hydroxy-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,2-diol
CID 160712889
4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol
CID 78200712
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(4-ethoxyphenyl)prop-2-enoate
CID 71953264
[2-(2,4-dimethoxyanilino)-2-oxoethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate
CID 55326967
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
CID 39184528
2-amino-N-(4-chloro-2-ethoxyphenyl)acetamide;hydrochloride
CID 119337558
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide (CID 156540049) is 2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide is CCOc1cc(O)cc(C=Cc2ccc(NC(=O)CN)c(OC)c2)c1CC=C(C)C.
What is the InChIKey of 2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide?
The InChIKey is KCQSTWRNHRVMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-5-30-22-14-19(27)13-18(20(22)10-6-16(2)3)9-7-17-8-11-21(23(12-17)29-4)26-24(28)15-25/h6-9,11-14,27H,5,10,15,25H2,1-4H3,(H,26,28).
What are the key properties of 2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide?
2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide has a molecular weight of 410.51 g/mol, XLogP of 4.38, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[2-[3-ethoxy-5-hydroxy-2-(3-methylbut-2-enyl)phenyl]ethenyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 156540049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).