N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide

C19H23N3O5 — CID 45281113

IUPACN-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)NCc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O5/c1-12-11-22(19(26)21-18(12)25)17-9-14(23)15(27-17)7-8-16(24)20-10-13-5-3-2-4-6-13/h2-6,11,14-15,17,23H,7-10H2,1H3,(H,20,24)(H,21,25,26)/t14-,15+,17+/m0/s1
InChIKeyXCIKCMIQBGPZCT-ZMSDIMECSA-N
MW373.41 g/mol
LogP0.59
Rot. Bonds6

About N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide

N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide (PubChem CID 45281113) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide
PubChem CID45281113
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)NCc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O5/c1-12-11-22(19(26)21-18(12)25)17-9-14(23)15(27-17)7-8-16(24)20-10-13-5-3-2-4-6-13/h2-6,11,14-15,17,23H,7-10H2,1H3,(H,20,24)(H,21,25,26)/t14-,15+,17+/m0/s1
InChIKeyXCIKCMIQBGPZCT-ZMSDIMECSA-N
XLogP0.59
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-2-phenyl-acetamide
CID 5272853
2-(2,6-Dimethyl-phenyl)-N-[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-acetamide
CID 44290095
N-[(2R,3S,5R)-5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-2-(2-trifluoromethyl-phenyl)-acetamide
CID 44290060
2-Biphenyl-2-yl-N-[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-acetamide
CID 44290061
N-[(2R,3S,5R)-5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-2-o-tolyl-acetamide
CID 44290252
N-[(2R,3S,5R)-5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-2-(2-fluoro-phenyl)-acetamide
CID 44290253
(2S)-N-benzyl-2-[3-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoylamino]-3-phenylpropanamide
CID 51361584
N-[5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-2-fluoro-benzamide
CID 5275929
N-[5-(5-Ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-2-trifluoromethyl-benzamide
CID 5275932
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(E)-styryl]pyrimidine-2,4-dione
CID 6473807
1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-furan-2-yl]-1H-pyrimidine-2,4-dione
CID 44403913
3-Benzyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 267295

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide?
The IUPAC name of N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide (CID 45281113) is N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide?
The canonical SMILES for N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide is Cc1cn([C@H]2C[C@H](O)[C@@H](CCC(=O)NCc3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide?
The InChIKey is XCIKCMIQBGPZCT-ZMSDIMECSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12-11-22(19(26)21-18(12)25)17-9-14(23)15(27-17)7-8-16(24)20-10-13-5-3-2-4-6-13/h2-6,11,14-15,17,23H,7-10H2,1H3,(H,20,24)(H,21,25,26)/t14-,15+,17+/m0/s1.
What are the key properties of N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide?
N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide has a molecular weight of 373.41 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide is sourced from PubChem (CID 45281113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).