N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide

C25H30N2O5 — CID 158831966

IUPACN-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide
SMILESO=C(CO)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(C3CCOCC3)c2)cc1
InChIInChI=1S/C25H30N2O5/c28-18-24(29)21-6-4-19(5-7-21)17-27(25(30)26-10-14-32-15-11-26)23-3-1-2-22(16-23)20-8-12-31-13-9-20/h1-7,16,20,28H,8-15,17-18H2
InChIKeyIXDREAUQFGDKKS-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.21
Rot. Bonds6

About N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide

N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide (PubChem CID 158831966) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide
PubChem CID158831966
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC NameN-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide
SMILESO=C(CO)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(C3CCOCC3)c2)cc1
InChIInChI=1S/C25H30N2O5/c28-18-24(29)21-6-4-19(5-7-21)17-27(25(30)26-10-14-32-15-11-26)23-3-1-2-22(16-23)20-8-12-31-13-9-20/h1-7,16,20,28H,8-15,17-18H2
InChIKeyIXDREAUQFGDKKS-UHFFFAOYSA-N
XLogP3.21
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[3-[[4-(2-hydroxyacetyl)phenyl]methyl-(morpholine-4-carbonyl)amino]phenyl]piperidine-1-carboxylate
CID 160874705
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]morpholine-4-carboxamide
CID 147811359
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide
CID 149142775
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide
CID 148907845
N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide
CID 146940002
4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 167638373
N-[3-(fluoromethyl)phenyl]-4-(2-fluoro-2-methylpropyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]piperazine-1-carboxamide
CID 159503315
methyl 4-[[3-fluoro-N-(morpholine-4-carbonyl)anilino]methyl]benzoate;morpholine-4-carboxamide
CID 175784630
N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 144741604
N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
CID 158772736
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894353
N-(3-methylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide;N-(3-methylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide
CID 160525923

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide (CID 158831966) is N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide is O=C(CO)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(C3CCOCC3)c2)cc1.
What is the InChIKey of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide?
The InChIKey is IXDREAUQFGDKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c28-18-24(29)21-6-4-19(5-7-21)17-27(25(30)26-10-14-32-15-11-26)23-3-1-2-22(16-23)20-8-12-31-13-9-20/h1-7,16,20,28H,8-15,17-18H2.
What are the key properties of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide?
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 158831966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).