[4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride

C19H23ClN2O5 — CID 173105062

IUPAC[4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1ccc(CCNC(=O)OC)cc1OCc1ccccc1.Cl
InChIInChI=1S/C19H22N2O5.ClH/c1-20-18(22)26-16-9-8-14(10-11-21-19(23)24-2)12-17(16)25-13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyOPMBLLBOUGJTIT-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.30
Rot. Bonds7

About [4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride

[4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride (PubChem CID 173105062) has the molecular formula C19H23ClN2O5 and a molecular weight of 394.86 g/mol. Its IUPAC name is [4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name[4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride
PubChem CID173105062
Molecular FormulaC19H23ClN2O5
Molecular Weight394.86 g/mol
Exact Mass394.13
IUPAC Name[4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1ccc(CCNC(=O)OC)cc1OCc1ccccc1.Cl
InChIInChI=1S/C19H22N2O5.ClH/c1-20-18(22)26-16-9-8-14(10-11-21-19(23)24-2)12-17(16)25-13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyOPMBLLBOUGJTIT-UHFFFAOYSA-N
XLogP3.30
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-amino-3-[4-(methylcarbamoyloxy)-3-phenylmethoxyphenyl]propanoate;hydrochloride
CID 173105061
methyl 3-[4-(methylcarbamoyloxy)-3-phenylmethoxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 68727065
4-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]-4-oxobutanoic acid;methanol
CID 164862986
2-cyano-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 22679906
1-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 10506672
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 11122675
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
methyl N-[5-[2-(benzylamino)ethyl]-2-phenylmethoxyphenyl]carbamate
CID 71023999
N-[3-(3-methoxy-4-phenylmethoxyphenyl)propyl]acetamide
CID 46884554
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
CID 59596853
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]prop-2-enamide
CID 121395814

Frequently Asked Questions

What is the IUPAC name of [4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride?
The IUPAC name of [4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride (CID 173105062) is [4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride.
What is the SMILES notation for [4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride?
The canonical SMILES for [4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride is CNC(=O)Oc1ccc(CCNC(=O)OC)cc1OCc1ccccc1.Cl.
What is the InChIKey of [4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride?
The InChIKey is OPMBLLBOUGJTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5.ClH/c1-20-18(22)26-16-9-8-14(10-11-21-19(23)24-2)12-17(16)25-13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of [4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride?
[4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride has a molecular weight of 394.86 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(methoxycarbonylamino)ethyl]-2-phenylmethoxyphenyl] N-methylcarbamate;hydrochloride is sourced from PubChem (CID 173105062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).