N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide

C17H24N4O4 — CID 142750606

IUPACN-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide
SMILESCc1nn(OC[C@@H](O)CCNC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C17H24N4O4/c1-13-15-4-2-3-5-16(15)21(19-13)25-12-14(22)6-7-18-17(23)20-8-10-24-11-9-20/h2-5,14,22H,6-12H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyFOXSQPLXFRQOGO-AWEZNQCLSA-N
MW348.40 g/mol
LogP0.57
Rot. Bonds6

About N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide

N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide (PubChem CID 142750606) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide
PubChem CID142750606
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide
SMILESCc1nn(OC[C@@H](O)CCNC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C17H24N4O4/c1-13-15-4-2-3-5-16(15)21(19-13)25-12-14(22)6-7-18-17(23)20-8-10-24-11-9-20/h2-5,14,22H,6-12H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyFOXSQPLXFRQOGO-AWEZNQCLSA-N
XLogP0.57
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)morpholine-4-carboxamide
CID 103876112
3-methyl-N-(3-methylbutyl)indazole-1-carboxamide
CID 53006450
(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111
N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide
CID 155021513
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
CID 155893558
N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide
CID 108879035
N-propylmorpholine-4-carboxamide
CID 3410822
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide
CID 113227794
2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876740
N-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 113238079
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]morpholine-4-carboxamide
CID 121018545

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide?
The IUPAC name of N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide (CID 142750606) is N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide is Cc1nn(OC[C@@H](O)CCNC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide?
The InChIKey is FOXSQPLXFRQOGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-13-15-4-2-3-5-16(15)21(19-13)25-12-14(22)6-7-18-17(23)20-8-10-24-11-9-20/h2-5,14,22H,6-12H2,1H3,(H,18,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide?
N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide is sourced from PubChem (CID 142750606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).