[(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate

C29H33NO5 — CID 95292387

IUPAC[(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate
SMILESCOc1ccc(COC[C@@H](CNC(=O)c2cc(C)cc(C)c2)OC(=O)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C29H33NO5/c1-19-10-20(2)13-24(12-19)28(31)30-16-27(18-34-17-23-6-8-26(33-5)9-7-23)35-29(32)25-14-21(3)11-22(4)15-25/h6-15,27H,16-18H2,1-5H3,(H,30,31)/t27-/m1/s1
InChIKeyUGDPWTRPYFGDDI-HHHXNRCGSA-N
MW475.59 g/mol
LogP5.10
Rot. Bonds10

About [(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate

[(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate (PubChem CID 95292387) has the molecular formula C29H33NO5 and a molecular weight of 475.59 g/mol. Its IUPAC name is [(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate.

Molecular Properties

Compound Name[(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate
PubChem CID95292387
Molecular FormulaC29H33NO5
Molecular Weight475.59 g/mol
Exact Mass475.24
IUPAC Name[(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate
SMILESCOc1ccc(COC[C@@H](CNC(=O)c2cc(C)cc(C)c2)OC(=O)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C29H33NO5/c1-19-10-20(2)13-24(12-19)28(31)30-16-27(18-34-17-23-6-8-26(33-5)9-7-23)35-29(32)25-14-21(3)11-22(4)15-25/h6-15,27H,16-18H2,1-5H3,(H,30,31)/t27-/m1/s1
InChIKeyUGDPWTRPYFGDDI-HHHXNRCGSA-N
XLogP5.10
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate with MolForge

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Related Compounds

4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
CID 95344832
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methylphenyl)acetamide
CID 94814604
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94813443
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
CID 51126519
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
N-[2-[(6-methoxynaphthalen-2-yl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 41255483
3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104851757
(4-methoxyphenyl)methoxymethyl 4-methylbenzoate
CID 15498572
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]butan-2-yl] benzoate
CID 156755731
1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea
CID 95158318
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate?
The IUPAC name of [(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate (CID 95292387) is [(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate.
What is the SMILES notation for [(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate?
The canonical SMILES for [(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate is COc1ccc(COC[C@@H](CNC(=O)c2cc(C)cc(C)c2)OC(=O)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of [(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate?
The InChIKey is UGDPWTRPYFGDDI-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H33NO5/c1-19-10-20(2)13-24(12-19)28(31)30-16-27(18-34-17-23-6-8-26(33-5)9-7-23)35-29(32)25-14-21(3)11-22(4)15-25/h6-15,27H,16-18H2,1-5H3,(H,30,31)/t27-/m1/s1.
What are the key properties of [(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate?
[(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate has a molecular weight of 475.59 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3,5-dimethylbenzoyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3,5-dimethylbenzoate is sourced from PubChem (CID 95292387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).