(3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide

C29H33NO5 — CID 30038082

IUPAC(3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C2(CNC(=O)C[C@H](c3ccccc3)c3ccccc3O)CCOCC2)cc1OC
InChIInChI=1S/C29H33NO5/c1-33-26-13-12-22(18-27(26)34-2)29(14-16-35-17-15-29)20-30-28(32)19-24(21-8-4-3-5-9-21)23-10-6-7-11-25(23)31/h3-13,18,24,31H,14-17,19-20H2,1-2H3,(H,30,32)/t24-/m1/s1
InChIKeyIUFXFQGCEMQXDZ-XMMPIXPASA-N
MW475.59 g/mol
LogP4.80
Rot. Bonds9

About (3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide

(3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide (PubChem CID 30038082) has the molecular formula C29H33NO5 and a molecular weight of 475.59 g/mol. Its IUPAC name is (3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
PubChem CID30038082
Molecular FormulaC29H33NO5
Molecular Weight475.59 g/mol
Exact Mass475.24
IUPAC Name(3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C2(CNC(=O)C[C@H](c3ccccc3)c3ccccc3O)CCOCC2)cc1OC
InChIInChI=1S/C29H33NO5/c1-33-26-13-12-22(18-27(26)34-2)29(14-16-35-17-15-29)20-30-28(32)19-24(21-8-4-3-5-9-21)23-10-6-7-11-25(23)31/h3-13,18,24,31H,14-17,19-20H2,1-2H3,(H,30,32)/t24-/m1/s1
InChIKeyIUFXFQGCEMQXDZ-XMMPIXPASA-N
XLogP4.80
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 2870147
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-phenylbutanamide
CID 110621403
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
(3S)-3-(5-bromo-2-hydroxyphenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)propanamide
CID 125431533
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide
CID 112503009
N-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxan-4-yl]methyl]-3,3-diphenylpropanamide
CID 1076277
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide
CID 112503044
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 112503024
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119950588
2-[(1S)-3-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-1-phenylpropyl]phenol
CID 40914225
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide?
The IUPAC name of (3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide (CID 30038082) is (3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide is COc1ccc(C2(CNC(=O)C[C@H](c3ccccc3)c3ccccc3O)CCOCC2)cc1OC.
What is the InChIKey of (3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide?
The InChIKey is IUFXFQGCEMQXDZ-XMMPIXPASA-N. The full InChI is InChI=1S/C29H33NO5/c1-33-26-13-12-22(18-27(26)34-2)29(14-16-35-17-15-29)20-30-28(32)19-24(21-8-4-3-5-9-21)23-10-6-7-11-25(23)31/h3-13,18,24,31H,14-17,19-20H2,1-2H3,(H,30,32)/t24-/m1/s1.
What are the key properties of (3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide?
(3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide has a molecular weight of 475.59 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 30038082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).