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

C19H30N2O4 — CID 75536521

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(CN[C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)cc1
InChIInChI=1S/C19H30N2O4/c1-19(2,3)9-17(22)21-11-16-18(23)15(12-25-16)20-10-13-5-7-14(24-4)8-6-13/h5-8,15-16,18,20,23H,9-12H2,1-4H3,(H,21,22)/t15-,16-,18+/m1/s1
InChIKeyMVWZNYPLAHVWTQ-NUJGCVRESA-N
MW350.46 g/mol
LogP1.47
Rot. Bonds7

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

N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 75536521) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide
PubChem CID75536521
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(CN[C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)cc1
InChIInChI=1S/C19H30N2O4/c1-19(2,3)9-17(22)21-11-16-18(23)15(12-25-16)20-10-13-5-7-14(24-4)8-6-13/h5-8,15-16,18,20,23H,9-12H2,1-4H3,(H,21,22)/t15-,16-,18+/m1/s1
InChIKeyMVWZNYPLAHVWTQ-NUJGCVRESA-N
XLogP1.47
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.47
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-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide (CID 75536521) is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide is COc1ccc(CN[C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is MVWZNYPLAHVWTQ-NUJGCVRESA-N. The full InChI is InChI=1S/C19H30N2O4/c1-19(2,3)9-17(22)21-11-16-18(23)15(12-25-16)20-10-13-5-7-14(24-4)8-6-13/h5-8,15-16,18,20,23H,9-12H2,1-4H3,(H,21,22)/t15-,16-,18+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide has a molecular weight of 350.46 g/mol, XLogP of 1.47, 7 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-methoxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 75536521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).