1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide

C16H20N2O — CID 68779216

IUPAC1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC(C)(C)Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-16(2,12-13-8-5-4-6-9-13)17-15(19)14-10-7-11-18(14)3/h4-11H,12H2,1-3H3,(H,17,19)
InChIKeyJXEZDSJPNSYLDM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.78
Rot. Bonds4

About 1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide

1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide (PubChem CID 68779216) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide
PubChem CID68779216
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC(C)(C)Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-16(2,12-13-8-5-4-6-9-13)17-15(19)14-10-7-11-18(14)3/h4-11H,12H2,1-3H3,(H,17,19)
InChIKeyJXEZDSJPNSYLDM-UHFFFAOYSA-N
XLogP2.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 12948787
1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide
CID 143504652
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393614
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 129393615
2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 81369355
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 81482518
2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 120701236
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
CID 43391337
1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride
CID 67246906
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide (CID 68779216) is 1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide is Cn1cccc1C(=O)NC(C)(C)Cc1ccccc1.
What is the InChIKey of 1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide?
The InChIKey is JXEZDSJPNSYLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,12-13-8-5-4-6-9-13)17-15(19)14-10-7-11-18(14)3/h4-11H,12H2,1-3H3,(H,17,19).
What are the key properties of 1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide?
1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 68779216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).