N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide

C24H26N4O5 — CID 71693660

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4nccn4C)[C@@H]3CO)cc2)cc1
InChIInChI=1S/C24H26N4O5/c1-27-12-11-25-21(27)13-28-20(14-29)23(33-15-22(28)30)16-3-7-18(8-4-16)26-24(31)17-5-9-19(32-2)10-6-17/h3-12,20,23,29H,13-15H2,1-2H3,(H,26,31)/t20-,23-/m1/s1
InChIKeyPWMIKYUJNFRYMV-NFBKMPQASA-N
MW450.50 g/mol
LogP2.14
Rot. Bonds7

About N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide

N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide (PubChem CID 71693660) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide
PubChem CID71693660
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4nccn4C)[C@@H]3CO)cc2)cc1
InChIInChI=1S/C24H26N4O5/c1-27-12-11-25-21(27)13-28-20(14-29)23(33-15-22(28)30)16-3-7-18(8-4-16)26-24(31)17-5-9-19(32-2)10-6-17/h3-12,20,23,29H,13-15H2,1-2H3,(H,26,31)/t20-,23-/m1/s1
InChIKeyPWMIKYUJNFRYMV-NFBKMPQASA-N
XLogP2.14
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide (CID 71693660) is N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4nccn4C)[C@@H]3CO)cc2)cc1.
What is the InChIKey of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide?
The InChIKey is PWMIKYUJNFRYMV-NFBKMPQASA-N. The full InChI is InChI=1S/C24H26N4O5/c1-27-12-11-25-21(27)13-28-20(14-29)23(33-15-22(28)30)16-3-7-18(8-4-16)26-24(31)17-5-9-19(32-2)10-6-17/h3-12,20,23,29H,13-15H2,1-2H3,(H,26,31)/t20-,23-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide has a molecular weight of 450.50 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 71693660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).