benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate

C19H23NO4 — CID 15222817

IUPACbenzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate
SMILESCCOc1ccc(C[C@@H](CO)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H23NO4/c1-2-23-18-10-8-15(9-11-18)12-17(13-21)20-19(22)24-14-16-6-4-3-5-7-16/h3-11,17,21H,2,12-14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyQERBLYVNNOZRTM-KRWDZBQOSA-N
MW329.40 g/mol
LogP2.92
Rot. Bonds8

About benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate

benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate (PubChem CID 15222817) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate
PubChem CID15222817
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namebenzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate
SMILESCCOc1ccc(C[C@@H](CO)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H23NO4/c1-2-23-18-10-8-15(9-11-18)12-17(13-21)20-19(22)24-14-16-6-4-3-5-7-16/h3-11,17,21H,2,12-14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyQERBLYVNNOZRTM-KRWDZBQOSA-N
XLogP2.92
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(2-aminoethylamino)-3-(4-ethoxyphenyl)propan-2-yl]carbamate
CID 19030069
(2S)-3-(4-ethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 10736143
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 85273603
[4-[(2S)-3-hydroxy-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propyl]phenyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 66747953
butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 151882072
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
ethyl 2,3-dioxo-6-phenyl-5-(phenylmethoxycarbonylamino)hexanoate
CID 67642564
benzyl (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 14420293
benzyl N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55942821
methyl (2S)-3-(4-butoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 68523256
(3S)-3-(methoxycarbonylamino)-4-(4-phenylmethoxyphenyl)butanoic acid
CID 121482434
methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 23213402

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate (CID 15222817) is benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate is CCOc1ccc(C[C@@H](CO)NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate?
The InChIKey is QERBLYVNNOZRTM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO4/c1-2-23-18-10-8-15(9-11-18)12-17(13-21)20-19(22)24-14-16-6-4-3-5-7-16/h3-11,17,21H,2,12-14H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate?
benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate has a molecular weight of 329.40 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 15222817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).