N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide

C16H20N2O2 — CID 97066107

IUPACN-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCOC[C@@](C)(NC(=O)c1cc[nH]c1C)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-12-14(9-10-17-12)15(19)18-16(2,11-20-3)13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3,(H,18,19)/t16-/m1/s1
InChIKeyPPAXCAUWNLUSST-MRXNPFEDSA-N
MW272.35 g/mol
LogP2.61
Rot. Bonds5

About N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide

N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 97066107) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID97066107
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCOC[C@@](C)(NC(=O)c1cc[nH]c1C)c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-12-14(9-10-17-12)15(19)18-16(2,11-20-3)13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3,(H,18,19)/t16-/m1/s1
InChIKeyPPAXCAUWNLUSST-MRXNPFEDSA-N
XLogP2.61
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(1-methoxy-2-phenylpropan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 71860822
N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 96560012
2-(3-hydroxyphenyl)-N-(1-methoxy-2-phenylpropan-2-yl)acetamide
CID 75518765
N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 96560022
2-methoxy-N-(2-phenylbutan-2-yl)benzamide
CID 86899366
N-[(2R)-1-methoxy-2-phenylpropan-2-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 96560017
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
CID 15883182
N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide
CID 105060475
N-(1-bromo-2-phenylpropan-2-yl)-2,4-dimethylbenzamide
CID 105060041
2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059808
methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate
CID 124849278

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide (CID 97066107) is N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide is COC[C@@](C)(NC(=O)c1cc[nH]c1C)c1ccccc1.
What is the InChIKey of N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is PPAXCAUWNLUSST-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-14(9-10-17-12)15(19)18-16(2,11-20-3)13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3,(H,18,19)/t16-/m1/s1.
What are the key properties of N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-2-phenylpropan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 97066107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).