N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide

C20H35N3O5 — CID 54645618

IUPACN-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide
SMILESO=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO
InChIInChI=1S/C20H35N3O5/c24-14-18-17(22-19(25)13-23-9-11-27-12-10-23)6-5-16(28-18)7-8-21-20(26)15-3-1-2-4-15/h15-18,24H,1-14H2,(H,21,26)(H,22,25)/t16-,17-,18+/m1/s1
InChIKeyDICINUGHTLCIMB-KURKYZTESA-N
MW397.52 g/mol
LogP0.04
Rot. Bonds8

About N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide

N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide (PubChem CID 54645618) has the molecular formula C20H35N3O5 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide
PubChem CID54645618
Molecular FormulaC20H35N3O5
Molecular Weight397.52 g/mol
Exact Mass397.26
IUPAC NameN-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide
SMILESO=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO
InChIInChI=1S/C20H35N3O5/c24-14-18-17(22-19(25)13-23-9-11-27-12-10-23)6-5-16(28-18)7-8-21-20(26)15-3-1-2-4-15/h15-18,24H,1-14H2,(H,21,26)(H,22,25)/t16-,17-,18+/m1/s1
InChIKeyDICINUGHTLCIMB-KURKYZTESA-N
XLogP0.04
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide (CID 54645618) is N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide is O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO.
What is the InChIKey of N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is DICINUGHTLCIMB-KURKYZTESA-N. The full InChI is InChI=1S/C20H35N3O5/c24-14-18-17(22-19(25)13-23-9-11-27-12-10-23)6-5-16(28-18)7-8-21-20(26)15-3-1-2-4-15/h15-18,24H,1-14H2,(H,21,26)(H,22,25)/t16-,17-,18+/m1/s1.
What are the key properties of N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide?
N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 397.52 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 54645618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).