methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate

C18H19FN2O4 — CID 94612751

IUPACmethyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N[C@H](COc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H19FN2O4/c1-24-18(23)20-11-17(22)21-15(13-7-3-2-4-8-13)12-25-16-10-6-5-9-14(16)19/h2-10,15H,11-12H2,1H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyVGEZPNAZSQFTEW-OAHLLOKOSA-N
MW346.36 g/mol
LogP2.42
Rot. Bonds7

About methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate

methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate (PubChem CID 94612751) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate
PubChem CID94612751
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Namemethyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N[C@H](COc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H19FN2O4/c1-24-18(23)20-11-17(22)21-15(13-7-3-2-4-8-13)12-25-16-10-6-5-9-14(16)19/h2-10,15H,11-12H2,1H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyVGEZPNAZSQFTEW-OAHLLOKOSA-N
XLogP2.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 146083123
3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride
CID 119735720
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715
N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(2-hydroxyphenyl)propanamide
CID 112835967
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119735718
methyl (3S)-3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 51558007
2-(4-cyanophenoxy)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 55737345
2-(2-fluorophenoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103772671
2-[[2-(2-fluorophenoxy)-1-phenylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181692
2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 55737377
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55799758
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55737194

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate (CID 94612751) is methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N[C@H](COc1ccccc1F)c1ccccc1.
What is the InChIKey of methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is VGEZPNAZSQFTEW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-24-18(23)20-11-17(22)21-15(13-7-3-2-4-8-13)12-25-16-10-6-5-9-14(16)19/h2-10,15H,11-12H2,1H3,(H,20,23)(H,21,22)/t15-/m1/s1.
What are the key properties of methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate?
methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 346.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 94612751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).