N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide

C21H30N2O4 — CID 54640553

IUPACN-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide
SMILESC[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1
InChIInChI=1S/C21H30N2O4/c1-14(15-6-3-2-4-7-15)22-20(25)12-17-10-11-18(19(13-24)27-17)23-21(26)16-8-5-9-16/h2-4,6-7,14,16-19,24H,5,8-13H2,1H3,(H,22,25)(H,23,26)/t14-,17+,18+,19-/m0/s1
InChIKeyPHXITHQOKRDDQC-PIKADFDJSA-N
MW374.48 g/mol
LogP2.08
Rot. Bonds7

About N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide

N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide (PubChem CID 54640553) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide
PubChem CID54640553
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide
SMILESC[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1
InChIInChI=1S/C21H30N2O4/c1-14(15-6-3-2-4-7-15)22-20(25)12-17-10-11-18(19(13-24)27-17)23-21(26)16-8-5-9-16/h2-4,6-7,14,16-19,24H,5,8-13H2,1H3,(H,22,25)(H,23,26)/t14-,17+,18+,19-/m0/s1
InChIKeyPHXITHQOKRDDQC-PIKADFDJSA-N
XLogP2.08
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclopropanecarboxamide
CID 54645041
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclopropanecarboxamide
CID 54645037
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
CID 54645079
2-[(2R,5S,6R)-5-(1,3-benzodioxol-5-ylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 54641109
2-[(2R,5R,6S)-5-(1,3-benzodioxol-5-ylcarbamoylamino)-6-(hydroxymethyl)oxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 54641111
2-[(2S,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 54638483
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]cyclobutanecarboxamide
CID 54648556
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]cyclobutanecarboxamide
CID 54648553
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54645063
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54644273
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]oxan-3-yl]oxane-4-carboxamide
CID 54641908
N-[(2R,3R,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
CID 54639164

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide (CID 54640553) is N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide is C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1.
What is the InChIKey of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide?
The InChIKey is PHXITHQOKRDDQC-PIKADFDJSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-14(15-6-3-2-4-7-15)22-20(25)12-17-10-11-18(19(13-24)27-17)23-21(26)16-8-5-9-16/h2-4,6-7,14,16-19,24H,5,8-13H2,1H3,(H,22,25)(H,23,26)/t14-,17+,18+,19-/m0/s1.
What are the key properties of N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide?
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 54640553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).