N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide

C25H25N3O5 — CID 56774799

IUPACN-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccncc2)cc1
InChIInChI=1S/C25H25N3O5/c1-32-22-5-3-2-4-20(22)25(31)27-19-8-6-18(7-9-19)24(30)21-15-33-16-23(29)28(21)14-17-10-12-26-13-11-17/h2-13,21,24,30H,14-16H2,1H3,(H,27,31)/t21-,24-/m1/s1
InChIKeyRPRANNHBSCPAIM-ZJSXRUAMSA-N
MW447.49 g/mol
LogP2.80
Rot. Bonds7

About N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide

N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide (PubChem CID 56774799) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide
PubChem CID56774799
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccncc2)cc1
InChIInChI=1S/C25H25N3O5/c1-32-22-5-3-2-4-20(22)25(31)27-19-8-6-18(7-9-19)24(30)21-15-33-16-23(29)28(21)14-17-10-12-26-13-11-17/h2-13,21,24,30H,14-16H2,1H3,(H,27,31)/t21-,24-/m1/s1
InChIKeyRPRANNHBSCPAIM-ZJSXRUAMSA-N
XLogP2.80
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide (CID 56774799) is N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccncc2)cc1.
What is the InChIKey of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide?
The InChIKey is RPRANNHBSCPAIM-ZJSXRUAMSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-32-22-5-3-2-4-20(22)25(31)27-19-8-6-18(7-9-19)24(30)21-15-33-16-23(29)28(21)14-17-10-12-26-13-11-17/h2-13,21,24,30H,14-16H2,1H3,(H,27,31)/t21-,24-/m1/s1.
What are the key properties of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide?
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide has a molecular weight of 447.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 56774799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).