N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide

C20H24N2O3 — CID 119440436

IUPACN-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2CNCC)cc1OC
InChIInChI=1S/C20H24N2O3/c1-4-12-25-18-11-10-15(13-19(18)24-3)20(23)22-17-9-7-6-8-16(17)14-21-5-2/h4,6-11,13,21H,1,5,12,14H2,2-3H3,(H,22,23)
InChIKeyZSJVZNUKVQPOBN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.62
Rot. Bonds9

About N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide

N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 119440436) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID119440436
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2CNCC)cc1OC
InChIInChI=1S/C20H24N2O3/c1-4-12-25-18-11-10-15(13-19(18)24-3)20(23)22-17-9-7-6-8-16(17)14-21-5-2/h4,6-11,13,21H,1,5,12,14H2,2-3H3,(H,22,23)
InChIKeyZSJVZNUKVQPOBN-UHFFFAOYSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 119439139
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119440133
N-[2-(ethylaminomethyl)phenyl]-4-methoxy-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119440173
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 119439770
3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
CID 27167629
N-(2-ethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600914

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide (CID 119440436) is N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccccc2CNCC)cc1OC.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is ZSJVZNUKVQPOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-12-25-18-11-10-15(13-19(18)24-3)20(23)22-17-9-7-6-8-16(17)14-21-5-2/h4,6-11,13,21H,1,5,12,14H2,2-3H3,(H,22,23).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide?
N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 119440436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).