N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide

C18H21N3O4 — CID 162814098

IUPACN-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide
SMILESCC1OC(n2ccc(NC(=O)Cc3ccccc3)nc2=O)CCC1O
InChIInChI=1S/C18H21N3O4/c1-12-14(22)7-8-17(25-12)21-10-9-15(20-18(21)24)19-16(23)11-13-5-3-2-4-6-13/h2-6,9-10,12,14,17,22H,7-8,11H2,1H3,(H,19,20,23,24)
InChIKeyFXMRCYWHRBMORX-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.48
Rot. Bonds4

About N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide

N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide (PubChem CID 162814098) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide
PubChem CID162814098
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide
SMILESCC1OC(n2ccc(NC(=O)Cc3ccccc3)nc2=O)CCC1O
InChIInChI=1S/C18H21N3O4/c1-12-14(22)7-8-17(25-12)21-10-9-15(20-18(21)24)19-16(23)11-13-5-3-2-4-6-13/h2-6,9-10,12,14,17,22H,7-8,11H2,1H3,(H,19,20,23,24)
InChIKeyFXMRCYWHRBMORX-UHFFFAOYSA-N
XLogP1.48
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-3-methylbutanamide
CID 162940499
benzyl N-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 10665195
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
N-[2-oxo-1-[(2R,3S,4S)-3,4,5-trimethyloxolan-2-yl]pyrimidin-4-yl]propanamide
CID 58196295
N-[2-oxo-1-[(2S,4S)-2-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pyrimidin-4-yl]acetamide
CID 11002465
N-[2-oxo-1-[(2R,5R)-2-(phenylmethoxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-4-yl]acetamide
CID 11360415
N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide
CID 142536936
N-[1-[(2R,5R)-4-hydroxy-5-(2-oxopropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 57135950
N-[1-[(2R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 102169154
1-benzyl-3-[1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]urea
CID 59035568
chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 169252416
1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-phenylurea
CID 15375899

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide (CID 162814098) is N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide is CC1OC(n2ccc(NC(=O)Cc3ccccc3)nc2=O)CCC1O.
What is the InChIKey of N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide?
The InChIKey is FXMRCYWHRBMORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-14(22)7-8-17(25-12)21-10-9-15(20-18(21)24)19-16(23)11-13-5-3-2-4-6-13/h2-6,9-10,12,14,17,22H,7-8,11H2,1H3,(H,19,20,23,24).
What are the key properties of N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide?
N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide has a molecular weight of 343.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 162814098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).