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

C23H30N2O3 — CID 37270693

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCCc2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O3/c1-6-8-18-15-19(16-21(27-4)22(18)28-5)23(26)24-14-7-9-17-10-12-20(13-11-17)25(2)3/h6,10-13,15-16H,1,7-9,14H2,2-5H3,(H,24,26)
InChIKeyUAFNZXARJHRTSL-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.86
Rot. Bonds10

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

N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (PubChem CID 37270693) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
PubChem CID37270693
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCCc2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O3/c1-6-8-18-15-19(16-21(27-4)22(18)28-5)23(26)24-14-7-9-17-10-12-20(13-11-17)25(2)3/h6,10-13,15-16H,1,7-9,14H2,2-5H3,(H,24,26)
InChIKeyUAFNZXARJHRTSL-UHFFFAOYSA-N
XLogP3.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874
3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
CID 31850269
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55847064
N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18111345
N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21173960
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
3,4-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-5-prop-2-enylbenzamide
CID 55748619
N-(3-imidazol-1-ylpropyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 51304793
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55464623
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide (CID 37270693) is N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCCCc2ccc(N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
The InChIKey is UAFNZXARJHRTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-8-18-15-19(16-21(27-4)22(18)28-5)23(26)24-14-7-9-17-10-12-20(13-11-17)25(2)3/h6,10-13,15-16H,1,7-9,14H2,2-5H3,(H,24,26).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide has a molecular weight of 382.50 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-3,4-dimethoxy-5-prop-2-enylbenzamide is sourced from PubChem (CID 37270693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).