methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate

C24H24N2O3 — CID 9392902

IUPACmethyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-17-8-10-19(11-9-17)23(18-6-4-3-5-7-18)25-16-22(27)26-21-14-12-20(13-15-21)24(28)29-2/h3-15,23,25H,16H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyMCQCBXJUTNLUPP-HSZRJFAPSA-N
MW388.47 g/mol
LogP4.10
Rot. Bonds7

About methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate

methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate (PubChem CID 9392902) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate
PubChem CID9392902
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Namemethyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-17-8-10-19(11-9-17)23(18-6-4-3-5-7-18)25-16-22(27)26-21-14-12-20(13-15-21)24(28)29-2/h3-15,23,25H,16H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKeyMCQCBXJUTNLUPP-HSZRJFAPSA-N
XLogP4.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
methyl 4-[[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 7636745
2-(benzhydrylamino)-N-(4-hydroxyphenyl)acetamide
CID 34683511
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393342
4-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60537205
N-(5-acetamido-2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 8641820
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392402
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689
N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392611
2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide
CID 8641426

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate (CID 9392902) is methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate?
The InChIKey is MCQCBXJUTNLUPP-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17-8-10-19(11-9-17)23(18-6-4-3-5-7-18)25-16-22(27)26-21-14-12-20(13-15-21)24(28)29-2/h3-15,23,25H,16H2,1-2H3,(H,26,27)/t23-/m1/s1.
What are the key properties of methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate?
methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate has a molecular weight of 388.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 9392902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).