N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide

C22H24N4O5 — CID 67221522

IUPACN-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide
SMILESCN1Cc2cc(N3CCOC(C(O)C(=O)Nc4ccc(CN)cc4)C3=O)ccc2C1=O
InChIInChI=1S/C22H24N4O5/c1-25-12-14-10-16(6-7-17(14)21(25)29)26-8-9-31-19(22(26)30)18(27)20(28)24-15-4-2-13(11-23)3-5-15/h2-7,10,18-19,27H,8-9,11-12,23H2,1H3,(H,24,28)
InChIKeyMSPHEFMZEBWXQL-UHFFFAOYSA-N
MW424.46 g/mol
LogP0.46
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide

N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide (PubChem CID 67221522) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide
PubChem CID67221522
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC NameN-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide
SMILESCN1Cc2cc(N3CCOC(C(O)C(=O)Nc4ccc(CN)cc4)C3=O)ccc2C1=O
InChIInChI=1S/C22H24N4O5/c1-25-12-14-10-16(6-7-17(14)21(25)29)26-8-9-31-19(22(26)30)18(27)20(28)24-15-4-2-13(11-23)3-5-15/h2-7,10,18-19,27H,8-9,11-12,23H2,1H3,(H,24,28)
InChIKeyMSPHEFMZEBWXQL-UHFFFAOYSA-N
XLogP0.46
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid
CID 67221876
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide
CID 58181928
(2R)-N-(4-carbamimidoyl-2-ethylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide
CID 58181669
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-(1-methyl-2-oxoquinolin-7-yl)-3-oxomorpholin-2-yl]acetamide
CID 58290388
2-[3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]phenyl]acetic acid
CID 50997352
(2R)-N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-ethyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(3-oxo-2-propyl-1H-isoindol-5-yl)morpholin-2-yl]acetamide;(2R)-2-hydroxy-2-[(2R)-4-(2-methyl-3-oxo-1H-isoindol-5-yl)-3-oxomorpholin-2-yl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;(2R)-2-hydroxy-2-[(2R)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide
CID 159702417
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3,4-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58182070
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 46222375
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562853
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 67222335
2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide
CID 90717427
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 140562852

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide (CID 67221522) is N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide is CN1Cc2cc(N3CCOC(C(O)C(=O)Nc4ccc(CN)cc4)C3=O)ccc2C1=O.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide?
The InChIKey is MSPHEFMZEBWXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-25-12-14-10-16(6-7-17(14)21(25)29)26-8-9-31-19(22(26)30)18(27)20(28)24-15-4-2-13(11-23)3-5-15/h2-7,10,18-19,27H,8-9,11-12,23H2,1H3,(H,24,28).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide?
N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide has a molecular weight of 424.46 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 67221522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).