methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate

C24H26N2O3 — CID 9392196

IUPACmethyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)CN[C@@H](c2ccccc2)c2ccc(C)cc2)c1C
InChIInChI=1S/C24H26N2O3/c1-15-10-12-19(13-11-15)23(18-8-6-5-7-9-18)25-14-20(27)22-16(2)21(17(3)26-22)24(28)29-4/h5-13,23,25-26H,14H2,1-4H3/t23-/m0/s1
InChIKeyNSGTVQYGOADBRI-QHCPKHFHSA-N
MW390.48 g/mol
LogP4.29
Rot. Bonds7

About methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate

methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate (PubChem CID 9392196) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate
PubChem CID9392196
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Namemethyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)CN[C@@H](c2ccccc2)c2ccc(C)cc2)c1C
InChIInChI=1S/C24H26N2O3/c1-15-10-12-19(13-11-15)23(18-8-6-5-7-9-18)25-14-20(27)22-16(2)21(17(3)26-22)24(28)29-4/h5-13,23,25-26H,14H2,1-4H3/t23-/m0/s1
InChIKeyNSGTVQYGOADBRI-QHCPKHFHSA-N
XLogP4.29
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[2-(benzhydrylamino)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7971240
methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate
CID 9392902
ethyl 5-(benzhydrylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7930994
ethyl 5-[(2R)-2-(benzhydrylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7971122
methyl 5-[[(2R)-2-(dimethylamino)-2-phenylethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 41292728
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
benzyl-ethyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]azanium
CID 8533516
methyl 5-[(2S)-2-[(2S)-2-hydroxy-2-phenylacetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7821870
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]azanium
CID 9334915
methyl 5-(4-methoxy-3,4-dioxobutanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 99110372
methyl 2,4-dimethyl-5-(phenylmethoxycarbamoyl)-1H-pyrrole-3-carboxylate
CID 17426403
methyl 5-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2490660

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate (CID 9392196) is methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)CN[C@@H](c2ccccc2)c2ccc(C)cc2)c1C.
What is the InChIKey of methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate?
The InChIKey is NSGTVQYGOADBRI-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-15-10-12-19(13-11-15)23(18-8-6-5-7-9-18)25-14-20(27)22-16(2)21(17(3)26-22)24(28)29-4/h5-13,23,25-26H,14H2,1-4H3/t23-/m0/s1.
What are the key properties of methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate?
methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 9392196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).