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

C18H32N2O4 — CID 54641031

IUPACN-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CC[C@@H](CC(=O)NCC2CCCCC2)O[C@H]1CO
InChIInChI=1S/C18H32N2O4/c1-2-17(22)20-15-9-8-14(24-16(15)12-21)10-18(23)19-11-13-6-4-3-5-7-13/h13-16,21H,2-12H2,1H3,(H,19,23)(H,20,22)/t14-,15-,16-/m0/s1
InChIKeyUDNDOFJZCBESNN-JYJNAYRXSA-N
MW340.46 g/mol
LogP1.51
Rot. Bonds7

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

N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide (PubChem CID 54641031) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide
PubChem CID54641031
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC NameN-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CC[C@@H](CC(=O)NCC2CCCCC2)O[C@H]1CO
InChIInChI=1S/C18H32N2O4/c1-2-17(22)20-15-9-8-14(24-16(15)12-21)10-18(23)19-11-13-6-4-3-5-7-13/h13-16,21H,2-12H2,1H3,(H,19,23)(H,20,22)/t14-,15-,16-/m0/s1
InChIKeyUDNDOFJZCBESNN-JYJNAYRXSA-N
XLogP1.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide?
The IUPAC name of N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide (CID 54641031) is N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide.
What is the SMILES notation for N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide?
The canonical SMILES for N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide is CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCC2CCCCC2)O[C@H]1CO.
What is the InChIKey of N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide?
The InChIKey is UDNDOFJZCBESNN-JYJNAYRXSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-2-17(22)20-15-9-8-14(24-16(15)12-21)10-18(23)19-11-13-6-4-3-5-7-13/h13-16,21H,2-12H2,1H3,(H,19,23)(H,20,22)/t14-,15-,16-/m0/s1.
What are the key properties of N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide?
N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide has a molecular weight of 340.46 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide is sourced from PubChem (CID 54641031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).