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

C18H27N3O4 — CID 75410015

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)cc1
InChIInChI=1S/C18H27N3O4/c1-13-2-4-14(5-3-13)10-19-15-12-25-16(17(15)22)11-20-18(23)21-6-8-24-9-7-21/h2-5,15-17,19,22H,6-12H2,1H3,(H,20,23)/t15-,16-,17+/m1/s1
InChIKeyNSZKMZAPSSAVMV-ZACQAIPSSA-N
MW349.43 g/mol
LogP0.25
Rot. Bonds5

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

N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 75410015) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
PubChem CID75410015
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)cc1
InChIInChI=1S/C18H27N3O4/c1-13-2-4-14(5-3-13)10-19-15-12-25-16(17(15)22)11-20-18(23)21-6-8-24-9-7-21/h2-5,15-17,19,22H,6-12H2,1H3,(H,20,23)/t15-,16-,17+/m1/s1
InChIKeyNSZKMZAPSSAVMV-ZACQAIPSSA-N
XLogP0.25
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide (CID 75410015) is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide is Cc1ccc(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-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is NSZKMZAPSSAVMV-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13-2-4-14(5-3-13)10-19-15-12-25-16(17(15)22)11-20-18(23)21-6-8-24-9-7-21/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-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 75410015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).