2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide

C17H32N4O6 — CID 74579750

IUPAC2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC(C)NC(=O)NCC1OC(CC(=O)NCCN2CCOCC2)C(O)C1O
InChIInChI=1S/C17H32N4O6/c1-11(2)20-17(25)19-10-13-16(24)15(23)12(27-13)9-14(22)18-3-4-21-5-7-26-8-6-21/h11-13,15-16,23-24H,3-10H2,1-2H3,(H,18,22)(H2,19,20,25)
InChIKeyXDUZMCMPCPRWDP-UHFFFAOYSA-N
MW388.47 g/mol
LogP-1.98
Rot. Bonds8

About 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 74579750) has the molecular formula C17H32N4O6 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID74579750
Molecular FormulaC17H32N4O6
Molecular Weight388.47 g/mol
Exact Mass388.23
IUPAC Name2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC(C)NC(=O)NCC1OC(CC(=O)NCCN2CCOCC2)C(O)C1O
InChIInChI=1S/C17H32N4O6/c1-11(2)20-17(25)19-10-13-16(24)15(23)12(27-13)9-14(22)18-3-4-21-5-7-26-8-6-21/h11-13,15-16,23-24H,3-10H2,1-2H3,(H,18,22)(H2,19,20,25)
InChIKeyXDUZMCMPCPRWDP-UHFFFAOYSA-N
XLogP-1.98
TPSA132.39 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 5-1.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(phenylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 162804905
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 25390449
1-[[(2S,3S,4R,5S)-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 162804970
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 78976341
2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 74735286
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-(propan-2-ylcarbamoylamino)-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 54641634
1-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]-3-propan-2-ylurea
CID 28961554
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
4-N-(2-morpholin-4-ylethyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428885
2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[[(4-methylphenyl)carbamoylamino]methyl]oxolan-2-yl]-N-propan-2-ylacetamide
CID 162946478

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 74579750) is 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is CC(C)NC(=O)NCC1OC(CC(=O)NCCN2CCOCC2)C(O)C1O.
What is the InChIKey of 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is XDUZMCMPCPRWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O6/c1-11(2)20-17(25)19-10-13-16(24)15(23)12(27-13)9-14(22)18-3-4-21-5-7-26-8-6-21/h11-13,15-16,23-24H,3-10H2,1-2H3,(H,18,22)(H2,19,20,25).
What are the key properties of 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 388.47 g/mol, XLogP of -1.98, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 74579750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).