N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide

C30H36N2O5 — CID 11511736

IUPACN-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide
SMILESCC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2ccccc2CNC(=O)c2ccco2)c(O)c1
InChIInChI=1S/C30H36N2O5/c1-30(2,14-6-5-11-28(34)32-15-18-36-19-16-32)23-12-13-25(26(33)20-23)24-9-4-3-8-22(24)21-31-29(35)27-10-7-17-37-27/h3-4,7-10,12-13,17,20,33H,5-6,11,14-16,18-19,21H2,1-2H3,(H,31,35)
InChIKeyNYNJHXSYPXLXDY-UHFFFAOYSA-N
MW504.63 g/mol
LogP5.28
Rot. Bonds10

About N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide

N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide (PubChem CID 11511736) has the molecular formula C30H36N2O5 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide
PubChem CID11511736
Molecular FormulaC30H36N2O5
Molecular Weight504.63 g/mol
Exact Mass504.26
IUPAC NameN-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide
SMILESCC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2ccccc2CNC(=O)c2ccco2)c(O)c1
InChIInChI=1S/C30H36N2O5/c1-30(2,14-6-5-11-28(34)32-15-18-36-19-16-32)23-12-13-25(26(33)20-23)24-9-4-3-8-22(24)21-31-29(35)27-10-7-17-37-27/h3-4,7-10,12-13,17,20,33H,5-6,11,14-16,18-19,21H2,1-2H3,(H,31,35)
InChIKeyNYNJHXSYPXLXDY-UHFFFAOYSA-N
XLogP5.28
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-3-propan-2-ylurea
CID 11555038
N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 11713364
6-[4-[2-(aminomethyl)phenyl]-3-methoxyphenyl]-6-methyl-1-morpholin-4-ylheptan-1-one;6-[4-[3-(aminomethyl)phenyl]-3-methoxyphenyl]-6-methyl-1-morpholin-4-ylheptan-1-one
CID 157210754
5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one
CID 56636749
6-[4-[2-(aminomethyl)phenyl]-3-cyclohex-2-en-1-yloxyphenyl]-6-methyl-1-morpholin-4-ylheptan-1-one
CID 143214345
N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 38491111
6-(3-hydroxyphenyl)-6-methyl-1-morpholin-4-ylheptan-1-one;(2E,4E)-6-methyl-1-morpholin-4-yl-6-(3-phenylmethoxyphenyl)hepta-2,4-dien-1-one;molecular hydrogen
CID 162070529
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 71781872
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide
CID 39757861
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95982839
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide (CID 11511736) is N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide is CC(C)(CCCCC(=O)N1CCOCC1)c1ccc(-c2ccccc2CNC(=O)c2ccco2)c(O)c1.
What is the InChIKey of N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide?
The InChIKey is NYNJHXSYPXLXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O5/c1-30(2,14-6-5-11-28(34)32-15-18-36-19-16-32)23-12-13-25(26(33)20-23)24-9-4-3-8-22(24)21-31-29(35)27-10-7-17-37-27/h3-4,7-10,12-13,17,20,33H,5-6,11,14-16,18-19,21H2,1-2H3,(H,31,35).
What are the key properties of N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide?
N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide has a molecular weight of 504.63 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 11511736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).