3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide

C19H23N3O5 — CID 90653472

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H23N3O5/c23-17(6-9-22-10-7-18(24)21-19(22)25)20-15-13-26-11-8-16(15)27-12-14-4-2-1-3-5-14/h1-5,7,10,15-16H,6,8-9,11-13H2,(H,20,23)(H,21,24,25)/t15-,16+/m1/s1
InChIKeyONQOUCPPTHPVES-CVEARBPZSA-N
MW373.41 g/mol
LogP0.42
Rot. Bonds7

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

3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide (PubChem CID 90653472) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide
PubChem CID90653472
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H23N3O5/c23-17(6-9-22-10-7-18(24)21-19(22)25)20-15-13-26-11-8-16(15)27-12-14-4-2-1-3-5-14/h1-5,7,10,15-16H,6,8-9,11-13H2,(H,20,23)(H,21,24,25)/t15-,16+/m1/s1
InChIKeyONQOUCPPTHPVES-CVEARBPZSA-N
XLogP0.42
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide (CID 90653472) is 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide is O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide?
The InChIKey is ONQOUCPPTHPVES-CVEARBPZSA-N. The full InChI is InChI=1S/C19H23N3O5/c23-17(6-9-22-10-7-18(24)21-19(22)25)20-15-13-26-11-8-16(15)27-12-14-4-2-1-3-5-14/h1-5,7,10,15-16H,6,8-9,11-13H2,(H,20,23)(H,21,24,25)/t15-,16+/m1/s1.
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide has a molecular weight of 373.41 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]propanamide is sourced from PubChem (CID 90653472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).