N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide

C32H35NO5 — CID 11730950

IUPACN-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide
SMILESCOc1cc(C[C@@H](C)NC(C)=O)c(-c2ccc(OCc3ccccc3)c3c(OC)cc(C)cc23)c(OC)c1
InChIInChI=1S/C32H35NO5/c1-20-14-27-26(31-24(16-21(2)33-22(3)34)17-25(35-4)18-30(31)37-6)12-13-28(32(27)29(15-20)36-5)38-19-23-10-8-7-9-11-23/h7-15,17-18,21H,16,19H2,1-6H3,(H,33,34)/t21-/m1/s1
InChIKeyCJXTVWYNIUROOV-OAQYLSRUSA-N
MW513.63 g/mol
LogP6.49
Rot. Bonds10

About N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide

N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide (PubChem CID 11730950) has the molecular formula C32H35NO5 and a molecular weight of 513.63 g/mol. Its IUPAC name is N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide
PubChem CID11730950
Molecular FormulaC32H35NO5
Molecular Weight513.63 g/mol
Exact Mass513.25
IUPAC NameN-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide
SMILESCOc1cc(C[C@@H](C)NC(C)=O)c(-c2ccc(OCc3ccccc3)c3c(OC)cc(C)cc23)c(OC)c1
InChIInChI=1S/C32H35NO5/c1-20-14-27-26(31-24(16-21(2)33-22(3)34)17-25(35-4)18-30(31)37-6)12-13-28(32(27)29(15-20)36-5)38-19-23-10-8-7-9-11-23/h7-15,17-18,21H,16,19H2,1-6H3,(H,33,34)/t21-/m1/s1
InChIKeyCJXTVWYNIUROOV-OAQYLSRUSA-N
XLogP6.49
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.63
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol
CID 10927384
5-[2-[(2R)-2-azidopropyl]-4,6-di(propan-2-yloxy)phenyl]-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
CID 11455686
carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde
CID 11377165
(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid
CID 11088545
5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
CID 11035690
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide
CID 45258852
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470
(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
CID 122368996
3-chloro-4-(3-methoxy-4-phenylmethoxyphenyl)butan-2-one
CID 82185007

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide (CID 11730950) is N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide is COc1cc(C[C@@H](C)NC(C)=O)c(-c2ccc(OCc3ccccc3)c3c(OC)cc(C)cc23)c(OC)c1.
What is the InChIKey of N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide?
The InChIKey is CJXTVWYNIUROOV-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H35NO5/c1-20-14-27-26(31-24(16-21(2)33-22(3)34)17-25(35-4)18-30(31)37-6)12-13-28(32(27)29(15-20)36-5)38-19-23-10-8-7-9-11-23/h7-15,17-18,21H,16,19H2,1-6H3,(H,33,34)/t21-/m1/s1.
What are the key properties of N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide?
N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide has a molecular weight of 513.63 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 11730950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).