N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide

C18H27N3O5 — CID 75536753

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESCOc1ccc(CN[C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)cc1
InChIInChI=1S/C18H27N3O5/c1-24-14-4-2-13(3-5-14)10-19-15-12-26-16(17(15)22)11-20-18(23)21-6-8-25-9-7-21/h2-5,15-17,19,22H,6-12H2,1H3,(H,20,23)/t15-,16-,17+/m1/s1
InChIKeyBEMBLFDSFJBACV-ZACQAIPSSA-N
MW365.43 g/mol
LogP-0.05
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 75536753) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
PubChem CID75536753
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESCOc1ccc(CN[C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)cc1
InChIInChI=1S/C18H27N3O5/c1-24-14-4-2-13(3-5-14)10-19-15-12-26-16(17(15)22)11-20-18(23)21-6-8-25-9-7-21/h2-5,15-17,19,22H,6-12H2,1H3,(H,20,23)/t15-,16-,17+/m1/s1
InChIKeyBEMBLFDSFJBACV-ZACQAIPSSA-N
XLogP-0.05
TPSA92.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-[[3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]methanesulfonamide
CID 162789736
N-[[3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 162967431
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide
CID 162970604
4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536640
N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789965
4-[[[(3R,4S,5R)-4-hydroxy-5-[(pyridine-4-carbonylamino)methyl]oxolan-3-yl]amino]methyl]benzoic acid
CID 75536797
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162812543
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53498362
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
CID 75536639

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide (CID 75536753) is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide is COc1ccc(CN[C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is BEMBLFDSFJBACV-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-24-14-4-2-13(3-5-14)10-19-15-12-26-16(17(15)22)11-20-18(23)21-6-8-25-9-7-21/h2-5,15-17,19,22H,6-12H2,1H3,(H,20,23)/t15-,16-,17+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 75536753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).