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

C24H32N2O3 — CID 24551115

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCc2ccccc2CN(CC)CC)cc(OC)c1OC
InChIInChI=1S/C24H32N2O3/c1-6-11-18-14-21(15-22(28-4)23(18)29-5)24(27)25-16-19-12-9-10-13-20(19)17-26(7-2)8-3/h6,9-10,12-15H,1,7-8,11,16-17H2,2-5H3,(H,25,27)
InChIKeyGFHVCDYOPSZXIN-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.20
Rot. Bonds11

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

N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 24551115) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID24551115
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCc2ccccc2CN(CC)CC)cc(OC)c1OC
InChIInChI=1S/C24H32N2O3/c1-6-11-18-14-21(15-22(28-4)23(18)29-5)24(27)25-16-19-12-9-10-13-20(19)17-26(7-2)8-3/h6,9-10,12-15H,1,7-8,11,16-17H2,2-5H3,(H,25,27)
InChIKeyGFHVCDYOPSZXIN-UHFFFAOYSA-N
XLogP4.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.20
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

3-bromo-N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 26722982
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119440133
N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 97349516
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55847064
3,4-dimethoxy-5-prop-2-enyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39441999
3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55748619
N-[[2-(diethylaminomethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 24532719
N-(2-fluorophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 17413361
N-(2-bromophenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31841522

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 24551115) is N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCc2ccccc2CN(CC)CC)cc(OC)c1OC.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is GFHVCDYOPSZXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-6-11-18-14-21(15-22(28-4)23(18)29-5)24(27)25-16-19-12-9-10-13-20(19)17-26(7-2)8-3/h6,9-10,12-15H,1,7-8,11,16-17H2,2-5H3,(H,25,27).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 396.53 g/mol, XLogP of 4.20, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 24551115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).