[2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate

C18H28N2O3 — CID 170356926

IUPAC[2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate
SMILESCCN1CCCC1C(=O)OCC(COCc1ccccc1)NC
InChIInChI=1S/C18H28N2O3/c1-3-20-11-7-10-17(20)18(21)23-14-16(19-2)13-22-12-15-8-5-4-6-9-15/h4-6,8-9,16-17,19H,3,7,10-14H2,1-2H3
InChIKeyHKGONAIKORBUJL-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.82
Rot. Bonds9

About [2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate

[2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate (PubChem CID 170356926) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is [2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate
PubChem CID170356926
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name[2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate
SMILESCCN1CCCC1C(=O)OCC(COCc1ccccc1)NC
InChIInChI=1S/C18H28N2O3/c1-3-20-11-7-10-17(20)18(21)23-14-16(19-2)13-22-12-15-8-5-4-6-9-15/h4-6,8-9,16-17,19H,3,7,10-14H2,1-2H3
InChIKeyHKGONAIKORBUJL-UHFFFAOYSA-N
XLogP1.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-1-[(2S)-2-chloro-3-phenylmethoxypropyl]pyrrolidine-2-carboxylate
CID 24746015
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
ethyl (2S)-1-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-2-carboxylate
CID 138628046
benzyl (2S)-1-[(2S)-2-(phenylmethoxycarbonylamino)propyl]pyrrolidine-2-carboxylate
CID 101460182
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
benzyl (2R)-1-(aminomethyl)piperidine-2-carboxylate;hydrochloride
CID 170991850
benzyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 56804335
benzyl (2S)-1-[(2-methylbutan-2-ylamino)methyl]piperidine-2-carboxylate
CID 59049648
benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
CID 13034409
benzyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 59607548
(4-methoxyphenyl)methyl (2R)-1-benzylpyrrolidine-2-carboxylate
CID 97063553
benzyl (2S)-1-[(2S)-2-(hexadecanoylamino)-3-phenylmethoxypropanoyl]pyrrolidine-2-carboxylate
CID 10416430

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate?
The IUPAC name of [2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate (CID 170356926) is [2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate.
What is the SMILES notation for [2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate?
The canonical SMILES for [2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate is CCN1CCCC1C(=O)OCC(COCc1ccccc1)NC.
What is the InChIKey of [2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate?
The InChIKey is HKGONAIKORBUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-20-11-7-10-17(20)18(21)23-14-16(19-2)13-22-12-15-8-5-4-6-9-15/h4-6,8-9,16-17,19H,3,7,10-14H2,1-2H3.
What are the key properties of [2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate?
[2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 170356926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).