N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

C19H20N4O5 — CID 91797996

IUPACN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESN#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H20N4O5/c20-11-13-1-3-14(4-2-13)28-16-7-10-27-12-15(16)21-17(24)5-8-23-9-6-18(25)22-19(23)26/h1-4,6,9,15-16H,5,7-8,10,12H2,(H,21,24)(H,22,25,26)/t15-,16-/m1/s1
InChIKeyXKTYHJAXIMNUTO-HZPDHXFCSA-N
MW384.39 g/mol
LogP0.15
Rot. Bonds6

About N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 91797996) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID91797996
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESN#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H20N4O5/c20-11-13-1-3-14(4-2-13)28-16-7-10-27-12-15(16)21-17(24)5-8-23-9-6-18(25)22-19(23)26/h1-4,6,9,15-16H,5,7-8,10,12H2,(H,21,24)(H,22,25,26)/t15-,16-/m1/s1
InChIKeyXKTYHJAXIMNUTO-HZPDHXFCSA-N
XLogP0.15
TPSA126.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide
CID 91776738
N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 164642550
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91784559
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 91772381
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91777220
3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 91760636
N-[(3R,4R)-4-[4-(hydroxymethyl)phenoxy]oxan-3-yl]-2-(4-oxo-1-pyridinyl)acetamide
CID 91767933
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 91778480
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91775509
N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride
CID 154888784
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (CID 91797996) is N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCn2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is XKTYHJAXIMNUTO-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H20N4O5/c20-11-13-1-3-14(4-2-13)28-16-7-10-27-12-15(16)21-17(24)5-8-23-9-6-18(25)22-19(23)26/h1-4,6,9,15-16H,5,7-8,10,12H2,(H,21,24)(H,22,25,26)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 384.39 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 91797996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).