N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide

C29H30N2O7 — CID 163296455

IUPACN-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide
SMILESCOc1ccc(C(OC[C@H]2O[C@H]3N=C(NC(C)=O)O[C@H]3[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H30N2O7/c1-18(32)30-28-31-27-26(38-28)25(33)24(37-27)17-36-29(19-7-5-4-6-8-19,20-9-13-22(34-2)14-10-20)21-11-15-23(35-3)16-12-21/h4-16,24-27,33H,17H2,1-3H3,(H,30,31,32)/t24-,25-,26+,27-/m1/s1
InChIKeyYOSXEKBNFWFFNJ-JVYGEBFASA-N
MW518.57 g/mol
LogP2.99
Rot. Bonds8

About N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide

N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide (PubChem CID 163296455) has the molecular formula C29H30N2O7 and a molecular weight of 518.57 g/mol. Its IUPAC name is N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide
PubChem CID163296455
Molecular FormulaC29H30N2O7
Molecular Weight518.57 g/mol
Exact Mass518.21
IUPAC NameN-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide
SMILESCOc1ccc(C(OC[C@H]2O[C@H]3N=C(NC(C)=O)O[C@H]3[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H30N2O7/c1-18(32)30-28-31-27-26(38-28)25(33)24(37-27)17-36-29(19-7-5-4-6-8-19,20-9-13-22(34-2)14-10-20)21-11-15-23(35-3)16-12-21/h4-16,24-27,33H,17H2,1-3H3,(H,30,31,32)/t24-,25-,26+,27-/m1/s1
InChIKeyYOSXEKBNFWFFNJ-JVYGEBFASA-N
XLogP2.99
TPSA107.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.57
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 10994273
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CID 171124942
N-[(2S,3S,4R,5R)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4,5-dihydroxy-2-phenylmethoxyoxan-3-yl]acetamide
CID 57370145
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CID 15693464
N-[1-[(2R,3R,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
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N-[1-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 11093511
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CID 46919604

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide?
The IUPAC name of N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide (CID 163296455) is N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide.
What is the SMILES notation for N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide?
The canonical SMILES for N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide is COc1ccc(C(OC[C@H]2O[C@H]3N=C(NC(C)=O)O[C@H]3[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide?
The InChIKey is YOSXEKBNFWFFNJ-JVYGEBFASA-N. The full InChI is InChI=1S/C29H30N2O7/c1-18(32)30-28-31-27-26(38-28)25(33)24(37-27)17-36-29(19-7-5-4-6-8-19,20-9-13-22(34-2)14-10-20)21-11-15-23(35-3)16-12-21/h4-16,24-27,33H,17H2,1-3H3,(H,30,31,32)/t24-,25-,26+,27-/m1/s1.
What are the key properties of N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide?
N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide has a molecular weight of 518.57 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,5R,6R,6aS)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-hydroxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-yl]acetamide is sourced from PubChem (CID 163296455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).