2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide

C12H20N2O — CID 68737941

IUPAC2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide
SMILESCCCc1c[nH]c(CC(C)(C)C(N)=O)c1
InChIInChI=1S/C12H20N2O/c1-4-5-9-6-10(14-8-9)7-12(2,3)11(13)15/h6,8,14H,4-5,7H2,1-3H3,(H2,13,15)
InChIKeyCXIITMNCMQPMBB-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.02
Rot. Bonds5

About 2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide

2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide (PubChem CID 68737941) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide
PubChem CID68737941
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide
SMILESCCCc1c[nH]c(CC(C)(C)C(N)=O)c1
InChIInChI=1S/C12H20N2O/c1-4-5-9-6-10(14-8-9)7-12(2,3)11(13)15/h6,8,14H,4-5,7H2,1-3H3,(H2,13,15)
InChIKeyCXIITMNCMQPMBB-UHFFFAOYSA-N
XLogP2.02
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-butyl-1H-pyrrol-2-yl)-2-oxopropanoic acid
CID 59933740
ethyl (E)-3-(4-propyl-1H-pyrrol-2-yl)prop-2-enoate
CID 59523479
2-[(4-heptyl-1H-pyrrol-2-yl)methyl]butanoic acid
CID 68633234
ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen
CID 144709481
tert-butyl carbamate;4-propylaniline
CID 174513475
1,3-bis(2,2-dimethylpropyl)-5-propylbenzene
CID 171405016
acetamide;propylbenzene
CID 142238516
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838
3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111649324
3-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 121454578
4-[(4-chlorophenyl)methyl]-2-propyl-1H-pyrrole
CID 125482396
4-tridecyl-1H-pyrrole-2-carboxylic acid
CID 146156848

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide (CID 68737941) is 2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide is CCCc1c[nH]c(CC(C)(C)C(N)=O)c1.
What is the InChIKey of 2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide?
The InChIKey is CXIITMNCMQPMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-9-6-10(14-8-9)7-12(2,3)11(13)15/h6,8,14H,4-5,7H2,1-3H3,(H2,13,15).
What are the key properties of 2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide?
2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide has a molecular weight of 208.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide is sourced from PubChem (CID 68737941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).