methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate

C29H30N4O4 — CID 118060392

IUPACmethyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate
SMILESCOC(=O)C(C)(C)c1ccc(-c2ccc(-n3nnc(C)c3NC(=O)O[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H30N4O4/c1-19-26(30-28(35)37-20(2)21-9-7-6-8-10-21)33(32-31-19)25-17-13-23(14-18-25)22-11-15-24(16-12-22)29(3,4)27(34)36-5/h6-18,20H,1-5H3,(H,30,35)/t20-/m1/s1
InChIKeyRPFXGUQCYKYVPO-HXUWFJFHSA-N
MW498.58 g/mol
LogP6.00
Rot. Bonds7

About methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate

methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate (PubChem CID 118060392) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate
PubChem CID118060392
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Namemethyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate
SMILESCOC(=O)C(C)(C)c1ccc(-c2ccc(-n3nnc(C)c3NC(=O)O[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H30N4O4/c1-19-26(30-28(35)37-20(2)21-9-7-6-8-10-21)33(32-31-19)25-17-13-23(14-18-25)22-11-15-24(16-12-22)29(3,4)27(34)36-5/h6-18,20H,1-5H3,(H,30,35)/t20-/m1/s1
InChIKeyRPFXGUQCYKYVPO-HXUWFJFHSA-N
XLogP6.00
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate
CID 141383701
1-[4-[4-[5-[[(1R)-1-[3-(fluoromethyl)phenyl]ethoxy]carbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 118070565
2-[2,6-difluoro-4-[4-[4-methyl-5-(1-phenylethoxycarbonylamino)triazol-1-yl]phenyl]phenoxy]pyridine-3-carboxylic acid
CID 123646758
3-[2,6-difluoro-4-[4-[4-methyl-5-(1-phenylethoxycarbonylamino)triazol-1-yl]phenyl]phenoxy]pyridine-2-carboxylic acid
CID 123212181
methyl 1-[4-[4-[4-methyl-5-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 118060202
[(1R)-1-phenylethyl] N-[3-[4-[4-[1-(dihydroxymethyl)cyclopropyl]phenyl]-2-methoxyphenyl]-5-methyltriazol-4-yl]carbamate
CID 163687683
1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 72709716
2-methyl-2-[4-[4-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-thiazol-5-yl]phenyl]phenyl]propanoic acid
CID 78058045
2-[4-[4-[4-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-1-yl]phenyl]phenyl]acetic acid
CID 71266530
[(1R)-1-phenylethyl] N-[5-(4-bromophenyl)-3-methyltriazol-4-yl]carbamate
CID 71266457
1-[4-[4-[5-(1-phenylethoxycarbonylamino)tetrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71265955
[(1R)-1-phenylethyl] N-[5-(4-chlorophenyl)-3-methyltriazol-4-yl]carbamate
CID 70819210

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate?
The IUPAC name of methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate (CID 118060392) is methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate is COC(=O)C(C)(C)c1ccc(-c2ccc(-n3nnc(C)c3NC(=O)O[C@H](C)c3ccccc3)cc2)cc1.
What is the InChIKey of methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate?
The InChIKey is RPFXGUQCYKYVPO-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-19-26(30-28(35)37-20(2)21-9-7-6-8-10-21)33(32-31-19)25-17-13-23(14-18-25)22-11-15-24(16-12-22)29(3,4)27(34)36-5/h6-18,20H,1-5H3,(H,30,35)/t20-/m1/s1.
What are the key properties of methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate?
methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate has a molecular weight of 498.58 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate is sourced from PubChem (CID 118060392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).