N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide

C22H23N3O6 — CID 30851180

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESO=C(NCC(=O)N1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H23N3O6/c26-20(25-8-9-29-19(13-25)16-4-2-1-3-5-16)12-24-22(28)21(27)23-11-15-6-7-17-18(10-15)31-14-30-17/h1-7,10,19H,8-9,11-14H2,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyOJHHKHRMLSGZNV-LJQANCHMSA-N
MW425.44 g/mol
LogP0.75
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide

N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide (PubChem CID 30851180) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
PubChem CID30851180
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESO=C(NCC(=O)N1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H23N3O6/c26-20(25-8-9-29-19(13-25)16-4-2-1-3-5-16)12-24-22(28)21(27)23-11-15-6-7-17-18(10-15)31-14-30-17/h1-7,10,19H,8-9,11-14H2,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyOJHHKHRMLSGZNV-LJQANCHMSA-N
XLogP0.75
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-phenylpropanamide
CID 30851130
N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30851199
N'-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16894925
N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27375947
N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 30851197
2-(cyclopentylamino)-1-(2-phenylmorpholin-4-yl)ethanone
CID 60963934
3-(4-methoxyphenyl)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]propanamide
CID 27375928
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
CID 16895045
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
2-(1,3-benzodioxol-5-yl)-1-[2-(methylsulfonylmethyl)morpholin-4-yl]ethanone
CID 136566973
5-chloro-2-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894767
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-cyclopropyl-2-hydroxy-2-phenylethyl)oxamide
CID 71788839

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide (CID 30851180) is N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide is O=C(NCC(=O)N1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The InChIKey is OJHHKHRMLSGZNV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N3O6/c26-20(25-8-9-29-19(13-25)16-4-2-1-3-5-16)12-24-22(28)21(27)23-11-15-6-7-17-18(10-15)31-14-30-17/h1-7,10,19H,8-9,11-14H2,(H,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide has a molecular weight of 425.44 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide is sourced from PubChem (CID 30851180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).