N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide

C21H26N2O3 — CID 119440133

IUPACN-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccccc2CNCC)cc(OC)c1OC
InChIInChI=1S/C21H26N2O3/c1-5-9-15-12-17(13-19(25-3)20(15)26-4)21(24)23-18-11-8-7-10-16(18)14-22-6-2/h5,7-8,10-13,22H,1,6,9,14H2,2-4H3,(H,23,24)
InChIKeyNBWPMLCKQLKPHB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.79
Rot. Bonds9

About N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide

N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 119440133) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID119440133
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2ccccc2CNCC)cc(OC)c1OC
InChIInChI=1S/C21H26N2O3/c1-5-9-15-12-17(13-19(25-3)20(15)26-4)21(24)23-18-11-8-7-10-16(18)14-22-6-2/h5,7-8,10-13,22H,1,6,9,14H2,2-4H3,(H,23,24)
InChIKeyNBWPMLCKQLKPHB-UHFFFAOYSA-N
XLogP3.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.79
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-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31842136
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522
N-[2-(ethylaminomethyl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 119440436
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24551115
methyl 3-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]thiophene-2-carboxylate
CID 43034629
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55677135
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 27256082

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 119440133) is N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2ccccc2CNCC)cc(OC)c1OC.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is NBWPMLCKQLKPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-9-15-12-17(13-19(25-3)20(15)26-4)21(24)23-18-11-8-7-10-16(18)14-22-6-2/h5,7-8,10-13,22H,1,6,9,14H2,2-4H3,(H,23,24).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.79, 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]-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 119440133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).