N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide

C19H32N2O4 — CID 54644733

IUPACN-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
SMILESO=C(C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NC1CCCCC1
InChIInChI=1S/C19H32N2O4/c22-12-17-16(21-19(24)13-5-4-6-13)10-9-15(25-17)11-18(23)20-14-7-2-1-3-8-14/h13-17,22H,1-12H2,(H,20,23)(H,21,24)/t15-,16+,17-/m1/s1
InChIKeyORILWKDDWYUXBL-IXDOHACOSA-N
MW352.48 g/mol
LogP1.65
Rot. Bonds6

About N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide

N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide (PubChem CID 54644733) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
PubChem CID54644733
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC NameN-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
SMILESO=C(C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NC1CCCCC1
InChIInChI=1S/C19H32N2O4/c22-12-17-16(21-19(24)13-5-4-6-13)10-9-15(25-17)11-18(23)20-14-7-2-1-3-8-14/h13-17,22H,1-12H2,(H,20,23)(H,21,24)/t15-,16+,17-/m1/s1
InChIKeyORILWKDDWYUXBL-IXDOHACOSA-N
XLogP1.65
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
CID 54644741
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide
CID 54645539
N-[(2S,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
CID 54644785
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54645063
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54645066
2-[(2S,5S,6R)-5-(cyclohexylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-ethylacetamide
CID 54641706
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54640553
N-cyclobutyl-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-morpholin-4-ylacetyl)amino]oxan-2-yl]acetamide
CID 54645355
N-[(2R,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
CID 54644837
N-[(2R,3R,6S)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
CID 54644839
N-cyclohexyl-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54645399
N-cyclohexyl-2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54645394

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide (CID 54644733) is N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide is O=C(C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NC1CCCCC1.
What is the InChIKey of N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide?
The InChIKey is ORILWKDDWYUXBL-IXDOHACOSA-N. The full InChI is InChI=1S/C19H32N2O4/c22-12-17-16(21-19(24)13-5-4-6-13)10-9-15(25-17)11-18(23)20-14-7-2-1-3-8-14/h13-17,22H,1-12H2,(H,20,23)(H,21,24)/t15-,16+,17-/m1/s1.
What are the key properties of N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide?
N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide has a molecular weight of 352.48 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 54644733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).