[2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride

C21H28ClNO3 — CID 3066400

IUPAC[2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
SMILESCC(Oc1ccccc1)C(=O)OC(CN(C)C(C)C)c1ccccc1.Cl
InChIInChI=1S/C21H27NO3.ClH/c1-16(2)22(4)15-20(18-11-7-5-8-12-18)25-21(23)17(3)24-19-13-9-6-10-14-19;/h5-14,16-17,20H,15H2,1-4H3;1H
InChIKeyUAXGSWUXYJGCKH-UHFFFAOYSA-N
MW377.91 g/mol
LogP4.50
Rot. Bonds8

About [2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride

[2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride (PubChem CID 3066400) has the molecular formula C21H28ClNO3 and a molecular weight of 377.91 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
PubChem CID3066400
Molecular FormulaC21H28ClNO3
Molecular Weight377.91 g/mol
Exact Mass377.18
IUPAC Name[2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
SMILESCC(Oc1ccccc1)C(=O)OC(CN(C)C(C)C)c1ccccc1.Cl
InChIInChI=1S/C21H27NO3.ClH/c1-16(2)22(4)15-20(18-11-7-5-8-12-18)25-21(23)17(3)24-19-13-9-6-10-14-19;/h5-14,16-17,20H,15H2,1-4H3;1H
InChIKeyUAXGSWUXYJGCKH-UHFFFAOYSA-N
XLogP4.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.91
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
CID 3065816
4-(2-phenoxypropanoyloxy)butyl 2-phenoxypropanoate
CID 58999269
2-aminoethyl 2-phenoxypropanoate;hydrochloride
CID 174429606
2-iodoethyl 2-phenoxypropanoate
CID 21411128
(2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate
CID 145114679
methoxycarbonyl 2-phenoxypropanoate
CID 174370299
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (2R)-2-phenoxypropanoate
CID 7833786
dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate
CID 166440080
1-phenylpropyl 2-phenylpropanoate
CID 174489936
(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8636414

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride (CID 3066400) is [2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride is CC(Oc1ccccc1)C(=O)OC(CN(C)C(C)C)c1ccccc1.Cl.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride?
The InChIKey is UAXGSWUXYJGCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3.ClH/c1-16(2)22(4)15-20(18-11-7-5-8-12-18)25-21(23)17(3)24-19-13-9-6-10-14-19;/h5-14,16-17,20H,15H2,1-4H3;1H.
What are the key properties of [2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride?
[2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride has a molecular weight of 377.91 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride is sourced from PubChem (CID 3066400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).