phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate

C20H22N2O5 — CID 18574642

IUPACphenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate
SMILESO=C(NCC(c1ccc2c(c1)OCO2)N1CCOCC1)Oc1ccccc1
InChIInChI=1S/C20H22N2O5/c23-20(27-16-4-2-1-3-5-16)21-13-17(22-8-10-24-11-9-22)15-6-7-18-19(12-15)26-14-25-18/h1-7,12,17H,8-11,13-14H2,(H,21,23)
InChIKeyYHBMOILPIPJYHC-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.58
Rot. Bonds5

About phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate

phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate (PubChem CID 18574642) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate
PubChem CID18574642
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namephenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate
SMILESO=C(NCC(c1ccc2c(c1)OCO2)N1CCOCC1)Oc1ccccc1
InChIInChI=1S/C20H22N2O5/c23-20(27-16-4-2-1-3-5-16)21-13-17(22-8-10-24-11-9-22)15-6-7-18-19(12-15)26-14-25-18/h1-7,12,17H,8-11,13-14H2,(H,21,23)
InChIKeyYHBMOILPIPJYHC-UHFFFAOYSA-N
XLogP2.58
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 18574673
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N'-phenyloxamide
CID 7285765
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7285809
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 7285718
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-fluorobenzamide
CID 7285686
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-fluorobenzamide;hydrochloride
CID 52985976
N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-(3-phenylpropyl)oxamide
CID 27558089
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7285631
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-3,3-dimethylbutanamide
CID 7285774
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-(4-chlorophenyl)acetamide
CID 22583873
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide
CID 110287527
benzyl N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 18574675

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate?
The IUPAC name of phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate (CID 18574642) is phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate?
The canonical SMILES for phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate is O=C(NCC(c1ccc2c(c1)OCO2)N1CCOCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate?
The InChIKey is YHBMOILPIPJYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-20(27-16-4-2-1-3-5-16)21-13-17(22-8-10-24-11-9-22)15-6-7-18-19(12-15)26-14-25-18/h1-7,12,17H,8-11,13-14H2,(H,21,23).
What are the key properties of phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate?
phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate has a molecular weight of 370.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate is sourced from PubChem (CID 18574642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).