3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide

C12H20N2O — CID 110782535

IUPAC3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
SMILESCn1ccc(CNC(=O)CC(C)(C)C)c1
InChIInChI=1S/C12H20N2O/c1-12(2,3)7-11(15)13-8-10-5-6-14(4)9-10/h5-6,9H,7-8H2,1-4H3,(H,13,15)
InChIKeyZCDYBSIDJGCNAT-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.08
Rot. Bonds3

About 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide

3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide (PubChem CID 110782535) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
PubChem CID110782535
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
SMILESCn1ccc(CNC(=O)CC(C)(C)C)c1
InChIInChI=1S/C12H20N2O/c1-12(2,3)7-11(15)13-8-10-5-6-14(4)9-10/h5-6,9H,7-8H2,1-4H3,(H,13,15)
InChIKeyZCDYBSIDJGCNAT-UHFFFAOYSA-N
XLogP2.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103943197
2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 106509800
2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 83621902
N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 110782459
N-[(1-methylpyrrol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103722342
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492
(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 106390787
N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106390836
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673
2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103721962
N-[(1-methylpyrrol-3-yl)methyl]prop-2-enamide
CID 106390668

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide (CID 110782535) is 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide is Cn1ccc(CNC(=O)CC(C)(C)C)c1.
What is the InChIKey of 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide?
The InChIKey is ZCDYBSIDJGCNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,3)7-11(15)13-8-10-5-6-14(4)9-10/h5-6,9H,7-8H2,1-4H3,(H,13,15).
What are the key properties of 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide?
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide has a molecular weight of 208.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide is sourced from PubChem (CID 110782535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).