N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide

C19H25ClN2O4 — CID 54644856

IUPACN-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
SMILESO=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccccc1Cl
InChIInChI=1S/C19H25ClN2O4/c20-15-4-2-1-3-13(15)10-21-18(24)9-14-7-8-16(17(11-23)26-14)22-19(25)12-5-6-12/h1-4,12,14,16-17,23H,5-11H2,(H,21,24)(H,22,25)/t14-,16-,17-/m0/s1
InChIKeyYIOJMMAKNYBVOI-XIRDDKMYSA-N
MW380.87 g/mol
LogP1.78
Rot. Bonds7

About N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide

N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide (PubChem CID 54644856) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
PubChem CID54644856
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC NameN-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
SMILESO=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccccc1Cl
InChIInChI=1S/C19H25ClN2O4/c20-15-4-2-1-3-13(15)10-21-18(24)9-14-7-8-16(17(11-23)26-14)22-19(25)12-5-6-12/h1-4,12,14,16-17,23H,5-11H2,(H,21,24)(H,22,25)/t14-,16-,17-/m0/s1
InChIKeyYIOJMMAKNYBVOI-XIRDDKMYSA-N
XLogP1.78
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide 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-[(2R,3R,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
CID 54639164
N-[(2S,3S,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
CID 54639285
N-[(2S,3R,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
CID 53382658
N-[(2S,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
CID 54644785
N-[(2S,3R,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
CID 54644877
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54645066
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54645063
N-[(2S,3S,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
CID 54644741
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
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyacetyl)amino]oxan-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 54640099
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]oxan-3-yl]cyclobutanecarboxamide
CID 54644273

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide (CID 54644856) is N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide is O=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide?
The InChIKey is YIOJMMAKNYBVOI-XIRDDKMYSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c20-15-4-2-1-3-13(15)10-21-18(24)9-14-7-8-16(17(11-23)26-14)22-19(25)12-5-6-12/h1-4,12,14,16-17,23H,5-11H2,(H,21,24)(H,22,25)/t14-,16-,17-/m0/s1.
What are the key properties of N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide?
N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide has a molecular weight of 380.87 g/mol, XLogP of 1.78, 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-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 54644856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).