[3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate

C14H20N2O2 — CID 23037475

IUPAC[3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate
SMILESC=CCNC(=O)Oc1cccc(C(C)N(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-5-9-15-14(17)18-13-8-6-7-12(10-13)11(2)16(3)4/h5-8,10-11H,1,9H2,2-4H3,(H,15,17)
InChIKeyXZYHLFVIMRMQFM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.58
Rot. Bonds5

About [3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate

[3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate (PubChem CID 23037475) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate.

Molecular Properties

Compound Name[3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate
PubChem CID23037475
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate
SMILESC=CCNC(=O)Oc1cccc(C(C)N(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-5-9-15-14(17)18-13-8-6-7-12(10-13)11(2)16(3)4/h5-8,10-11H,1,9H2,2-4H3,(H,15,17)
InChIKeyXZYHLFVIMRMQFM-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethylcarbamate
CID 169440124
(3R)-3-[[[3-[(1S)-1-(dimethylamino)ethyl]phenoxy]carbonylamino]methyl]-5-methylhexanoic acid
CID 25175364
[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
CID 59825274
[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron
CID 23160019
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
CID 117069146
[3-[1-(dimethylamino)ethyl]phenyl] N-[4-(4-aminophenyl)sulfanylphenyl]carbamate
CID 143733575
naphthalen-2-yl N-prop-2-enylcarbamate
CID 71396312
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N,N-bis(trideuteriomethyl)carbamate
CID 169437716
2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60878639
[3-[[2-chloroprop-2-enyl(methyl)carbamothioyl]amino]phenyl] N-prop-2-enylcarbamate
CID 54259686
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
1-phenylethyl N-prop-2-enylcarbamate
CID 67912904

Frequently Asked Questions

What is the IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate?
The IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate (CID 23037475) is [3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate.
What is the SMILES notation for [3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate?
The canonical SMILES for [3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate is C=CCNC(=O)Oc1cccc(C(C)N(C)C)c1.
What is the InChIKey of [3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate?
The InChIKey is XZYHLFVIMRMQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-9-15-14(17)18-13-8-6-7-12(10-13)11(2)16(3)4/h5-8,10-11H,1,9H2,2-4H3,(H,15,17).
What are the key properties of [3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate?
[3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate has a molecular weight of 248.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(dimethylamino)ethyl]phenyl] N-prop-2-enylcarbamate is sourced from PubChem (CID 23037475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).