N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide

C19H30N2O3 — CID 112792814

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
SMILESCC=Cc1ccc(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/h7-11H,12-14H2,1-6H3,(H,20,22)
InChIKeyZINCMLLSVYOWMX-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.81
Rot. Bonds9

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide (PubChem CID 112792814) 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-1-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
PubChem CID112792814
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
SMILESCC=Cc1ccc(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/h7-11H,12-14H2,1-6H3,(H,20,22)
InChIKeyZINCMLLSVYOWMX-UHFFFAOYSA-N
XLogP2.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 112792859
3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700681
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478784
N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
CID 120650568
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
CID 119606964
2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253969
N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 78857545
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426363
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide (CID 112792814) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide is CC=Cc1ccc(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-1-enylphenoxy)acetamide?
The InChIKey is ZINCMLLSVYOWMX-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/h7-11H,12-14H2,1-6H3,(H,20,22).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.81, 9 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-1-enylphenoxy)acetamide is sourced from PubChem (CID 112792814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).