N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide

C27H27N3O6 — CID 22104296

IUPACN-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccn(CC(=O)NC2CC(=O)OC2OCc2ccccc2)c1=O
InChIInChI=1S/C27H27N3O6/c31-23(14-13-19-8-3-1-4-9-19)28-21-12-7-15-30(26(21)34)17-24(32)29-22-16-25(33)36-27(22)35-18-20-10-5-2-6-11-20/h1-12,15,22,27H,13-14,16-18H2,(H,28,31)(H,29,32)
InChIKeyZFKOAVILEGJWQQ-UHFFFAOYSA-N
MW489.53 g/mol
LogP2.39
Rot. Bonds10

About N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide

N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide (PubChem CID 22104296) has the molecular formula C27H27N3O6 and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide
PubChem CID22104296
Molecular FormulaC27H27N3O6
Molecular Weight489.53 g/mol
Exact Mass489.19
IUPAC NameN-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccn(CC(=O)NC2CC(=O)OC2OCc2ccccc2)c1=O
InChIInChI=1S/C27H27N3O6/c31-23(14-13-19-8-3-1-4-9-19)28-21-12-7-15-30(26(21)34)17-24(32)29-22-16-25(33)36-27(22)35-18-20-10-5-2-6-11-20/h1-12,15,22,27H,13-14,16-18H2,(H,28,31)(H,29,32)
InChIKeyZFKOAVILEGJWQQ-UHFFFAOYSA-N
XLogP2.39
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide (CID 22104296) is N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccn(CC(=O)NC2CC(=O)OC2OCc2ccccc2)c1=O.
What is the InChIKey of N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide?
The InChIKey is ZFKOAVILEGJWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O6/c31-23(14-13-19-8-3-1-4-9-19)28-21-12-7-15-30(26(21)34)17-24(32)29-22-16-25(33)36-27(22)35-18-20-10-5-2-6-11-20/h1-12,15,22,27H,13-14,16-18H2,(H,28,31)(H,29,32).
What are the key properties of N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide?
N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide has a molecular weight of 489.53 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-[2-oxo-2-[(5-oxo-2-phenylmethoxyoxolan-3-yl)amino]ethyl]-3-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 22104296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).