[2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate

C21H28N2O3 — CID 70478360

IUPAC[2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate
SMILESCCNC(=O)OC(c1ccccc1)C(COc1ccccc1)CN(C)C
InChIInChI=1S/C21H28N2O3/c1-4-22-21(24)26-20(17-11-7-5-8-12-17)18(15-23(2)3)16-25-19-13-9-6-10-14-19/h5-14,18,20H,4,15-16H2,1-3H3,(H,22,24)
InChIKeyRXPIWWJIWVWWHA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.73
Rot. Bonds9

About [2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate

[2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate (PubChem CID 70478360) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate
PubChem CID70478360
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name[2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate
SMILESCCNC(=O)OC(c1ccccc1)C(COc1ccccc1)CN(C)C
InChIInChI=1S/C21H28N2O3/c1-4-22-21(24)26-20(17-11-7-5-8-12-17)18(15-23(2)3)16-25-19-13-9-6-10-14-19/h5-14,18,20H,4,15-16H2,1-3H3,(H,22,24)
InChIKeyRXPIWWJIWVWWHA-UHFFFAOYSA-N
XLogP3.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-chloro-3-phenoxypropan-2-yl) N-ethylcarbamate
CID 3048741
phenyl N-[2-(dimethylamino)-1-phenylethyl]carbamate
CID 60676334
1-phenoxybutan-2-yl N-propylcarbamate
CID 143240308
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate
CID 118910868
(2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate
CID 101083275
benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate
CID 18470878
[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
CID 3065816
2-(4-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936319
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7697638
[(2S)-3-phenoxy-2-sulfanylpropyl]urea
CID 1275345
methyl 2-(phenoxymethyl)pentanoate
CID 117242093

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate?
The IUPAC name of [2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate (CID 70478360) is [2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate.
What is the SMILES notation for [2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate?
The canonical SMILES for [2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate is CCNC(=O)OC(c1ccccc1)C(COc1ccccc1)CN(C)C.
What is the InChIKey of [2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate?
The InChIKey is RXPIWWJIWVWWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-22-21(24)26-20(17-11-7-5-8-12-17)18(15-23(2)3)16-25-19-13-9-6-10-14-19/h5-14,18,20H,4,15-16H2,1-3H3,(H,22,24).
What are the key properties of [2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate?
[2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate has a molecular weight of 356.47 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-3-phenoxy-1-phenylpropyl] N-ethylcarbamate is sourced from PubChem (CID 70478360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).