2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide

C20H30N4O6 — CID 162804905

IUPAC2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(C[C@@H]1O[C@@H](CNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O)NCCN1CCOCC1
InChIInChI=1S/C20H30N4O6/c25-17(21-6-7-24-8-10-29-11-9-24)12-15-18(26)19(27)16(30-15)13-22-20(28)23-14-4-2-1-3-5-14/h1-5,15-16,18-19,26-27H,6-13H2,(H,21,25)(H2,22,23,28)/t15-,16-,18-,19+/m0/s1
InChIKeyNEWBKTIIMPQMFS-PBWTXFEYSA-N
MW422.48 g/mol
LogP-0.86
Rot. Bonds8

About 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 162804905) has the molecular formula C20H30N4O6 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID162804905
Molecular FormulaC20H30N4O6
Molecular Weight422.48 g/mol
Exact Mass422.22
IUPAC Name2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(C[C@@H]1O[C@@H](CNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O)NCCN1CCOCC1
InChIInChI=1S/C20H30N4O6/c25-17(21-6-7-24-8-10-29-11-9-24)12-15-18(26)19(27)16(30-15)13-22-20(28)23-14-4-2-1-3-5-14/h1-5,15-16,18-19,26-27H,6-13H2,(H,21,25)(H2,22,23,28)/t15-,16-,18-,19+/m0/s1
InChIKeyNEWBKTIIMPQMFS-PBWTXFEYSA-N
XLogP-0.86
TPSA132.39 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 5-0.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 74579750
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 25390449
2-[3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 74451304
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
2-[(2S,3R,4S,5R)-5-[[(3-fluorophenyl)carbamoylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(2-methoxyethyl)acetamide
CID 40781592
1-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-yl]methyl]-3-(3-fluorophenyl)urea
CID 162804123
1-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]-3-phenylurea
CID 74735106
5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353960
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110680430
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
1-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]-3-phenylurea
CID 28961556

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 162804905) is 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is O=C(C[C@@H]1O[C@@H](CNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O)NCCN1CCOCC1.
What is the InChIKey of 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is NEWBKTIIMPQMFS-PBWTXFEYSA-N. The full InChI is InChI=1S/C20H30N4O6/c25-17(21-6-7-24-8-10-29-11-9-24)12-15-18(26)19(27)16(30-15)13-22-20(28)23-14-4-2-1-3-5-14/h1-5,15-16,18-19,26-27H,6-13H2,(H,21,25)(H2,22,23,28)/t15-,16-,18-,19+/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 422.48 g/mol, XLogP of -0.86, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 162804905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).