N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C19H30N2O3 — CID 112792859

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCC(C)(C)CN(C)C)c(OC)c1
InChIInChI=1S/C19H30N2O3/c1-7-8-15-9-10-16(17(11-15)23-6)24-12-18(22)20-13-19(2,3)14-21(4)5/h7,9-11H,1,8,12-14H2,2-6H3,(H,20,22)
InChIKeyWDVMQCUCRWNCNR-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.51
Rot. Bonds10

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 112792859) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID112792859
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCC(C)(C)CN(C)C)c(OC)c1
InChIInChI=1S/C19H30N2O3/c1-7-8-15-9-10-16(17(11-15)23-6)24-12-18(22)20-13-19(2,3)14-21(4)5/h7,9-11H,1,8,12-14H2,2-6H3,(H,20,22)
InChIKeyWDVMQCUCRWNCNR-UHFFFAOYSA-N
XLogP2.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.51
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-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 112792814
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 33105392
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51305991
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 18084109
S-[4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529727
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26423489
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
2-(4-tert-butyl-2-methoxyphenoxy)-N-[4-(3,4-dimethoxyphenyl)-2,2-dimethylbutyl]acetamide
CID 129259478

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 112792859) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)NCC(C)(C)CN(C)C)c(OC)c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is WDVMQCUCRWNCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-7-8-15-9-10-16(17(11-15)23-6)24-12-18(22)20-13-19(2,3)14-21(4)5/h7,9-11H,1,8,12-14H2,2-6H3,(H,20,22).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 112792859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).