N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide

C14H19NO4 — CID 115775572

IUPACN-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H19NO4/c1-4-5-15(6-7-16)14(17)11-8-12(18-2)10-13(9-11)19-3/h4,8-10,16H,1,5-7H2,2-3H3
InChIKeyJUVFPPFCXAALLX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.32
Rot. Bonds7

About N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide

N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide (PubChem CID 115775572) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide
PubChem CID115775572
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H19NO4/c1-4-5-15(6-7-16)14(17)11-8-12(18-2)10-13(9-11)19-3/h4,8-10,16H,1,5-7H2,2-3H3
InChIKeyJUVFPPFCXAALLX-UHFFFAOYSA-N
XLogP1.32
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627
N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide
CID 115775503
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
CID 115776140
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115924108
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 4229838
N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
CID 28707665
N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)-N-prop-2-enylacetamide
CID 115776203
5-ethenyl-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 170901578

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide (CID 115775572) is N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide?
The InChIKey is JUVFPPFCXAALLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-5-15(6-7-16)14(17)11-8-12(18-2)10-13(9-11)19-3/h4,8-10,16H,1,5-7H2,2-3H3.
What are the key properties of N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide?
N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 115775572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).