N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide

C19H21NO5 — CID 21204736

IUPACN-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1cccc(O)c1
InChIInChI=1S/C19H21NO5/c1-5-9-20(14-7-6-8-15(21)12-14)19(22)13-10-16(23-2)18(25-4)17(11-13)24-3/h5-8,10-12,21H,1,9H2,2-4H3
InChIKeyXKNMFDAWJWRJDC-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.25
Rot. Bonds7

About N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide

N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide (PubChem CID 21204736) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide
PubChem CID21204736
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1cccc(O)c1
InChIInChI=1S/C19H21NO5/c1-5-9-20(14-7-6-8-15(21)12-14)19(22)13-10-16(23-2)18(25-4)17(11-13)24-3/h5-8,10-12,21H,1,9H2,2-4H3
InChIKeyXKNMFDAWJWRJDC-UHFFFAOYSA-N
XLogP3.25
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxyphenyl)-prop-2-enylcarbamic acid
CID 70559245
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide
CID 42696233
3-methyl-N-phenyl-N-prop-2-enylbenzamide
CID 78794859
N-[(5-chlorothiophen-2-yl)methyl]-3,4,5-trimethoxy-N-prop-2-enylbenzamide
CID 55360432
3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
CID 82183957
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-phenyl-N-prop-2-enylbenzamide
CID 43052353
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
2-(3,4-dimethoxyphenyl)-N-phenyl-N-prop-2-enylacetamide
CID 52564335
3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
CID 55917567
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
N-ethenyl-3,4,5-trimethoxybenzamide
CID 102575963
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 110280309

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide?
The IUPAC name of N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide (CID 21204736) is N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide?
The canonical SMILES for N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide?
The InChIKey is XKNMFDAWJWRJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-5-9-20(14-7-6-8-15(21)12-14)19(22)13-10-16(23-2)18(25-4)17(11-13)24-3/h5-8,10-12,21H,1,9H2,2-4H3.
What are the key properties of N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide?
N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide has a molecular weight of 343.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 21204736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).