2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide

C26H33N3O5 — CID 174860240

IUPAC2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide
SMILESCC(=O)C(c1ccc(CN2CCOCC2)cc1)c1ccc(NC(=O)C(O)(C(N)=O)C(C)C)cc1
InChIInChI=1S/C26H33N3O5/c1-17(2)26(33,24(27)31)25(32)28-22-10-8-21(9-11-22)23(18(3)30)20-6-4-19(5-7-20)16-29-12-14-34-15-13-29/h4-11,17,23,33H,12-16H2,1-3H3,(H2,27,31)(H,28,32)
InChIKeyWPAAKKXBSZZIQX-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.05
Rot. Bonds9

About 2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide

2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide (PubChem CID 174860240) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide.

Molecular Properties

Compound Name2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide
PubChem CID174860240
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide
SMILESCC(=O)C(c1ccc(CN2CCOCC2)cc1)c1ccc(NC(=O)C(O)(C(N)=O)C(C)C)cc1
InChIInChI=1S/C26H33N3O5/c1-17(2)26(33,24(27)31)25(32)28-22-10-8-21(9-11-22)23(18(3)30)20-6-4-19(5-7-20)16-29-12-14-34-15-13-29/h4-11,17,23,33H,12-16H2,1-3H3,(H2,27,31)(H,28,32)
InChIKeyWPAAKKXBSZZIQX-UHFFFAOYSA-N
XLogP2.05
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide
CID 174859874
2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26599953
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 89193384
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide
CID 30308724
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
3-methyl-2-[[4-(morpholin-4-ylmethyl)phenyl]carbamoylamino]pentanoic acid
CID 4870797

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide?
The IUPAC name of 2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide (CID 174860240) is 2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide.
What is the SMILES notation for 2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide?
The canonical SMILES for 2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide is CC(=O)C(c1ccc(CN2CCOCC2)cc1)c1ccc(NC(=O)C(O)(C(N)=O)C(C)C)cc1.
What is the InChIKey of 2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide?
The InChIKey is WPAAKKXBSZZIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-17(2)26(33,24(27)31)25(32)28-22-10-8-21(9-11-22)23(18(3)30)20-6-4-19(5-7-20)16-29-12-14-34-15-13-29/h4-11,17,23,33H,12-16H2,1-3H3,(H2,27,31)(H,28,32).
What are the key properties of 2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide?
2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide has a molecular weight of 467.57 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide is sourced from PubChem (CID 174860240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).