2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide

C10H16N2O — CID 159070362

IUPAC2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCC1=CN=CC1
InChIInChI=1S/C10H16N2O/c1-10(2,3)9(13)12-7-8-4-5-11-6-8/h5-6H,4,7H2,1-3H3,(H,12,13)
InChIKeyJZOMQFLEGHKNQB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.51
Rot. Bonds2

About 2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide

2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide (PubChem CID 159070362) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide
PubChem CID159070362
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCC1=CN=CC1
InChIInChI=1S/C10H16N2O/c1-10(2,3)9(13)12-7-8-4-5-11-6-8/h5-6H,4,7H2,1-3H3,(H,12,13)
InChIKeyJZOMQFLEGHKNQB-UHFFFAOYSA-N
XLogP1.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide
CID 58710755
N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
2,2-dimethyl-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]propanamide
CID 129258525
ethane;N-[3-(ethenyliminomethyl)but-3-enyl]acetamide
CID 142506758
4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide
CID 144920807
N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide
CID 146416578
4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 146841645
2,2-dimethyl-N-[(4-methyl-3H-pyrrol-2-yl)methyl]propanamide
CID 147236148
5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide
CID 147982421
2,2-dimethyl-N-[(5-methyl-3H-pyrrol-4-yl)methyl]propanamide
CID 153271350
N-[(2Z)-2-(aminomethylidene)-3-methyliminobutyl]-2-methylpropanamide
CID 155644344
N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 159709332

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide (CID 159070362) is 2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide is CC(C)(C)C(=O)NCC1=CN=CC1.
What is the InChIKey of 2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide?
The InChIKey is JZOMQFLEGHKNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)9(13)12-7-8-4-5-11-6-8/h5-6H,4,7H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide?
2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide has a molecular weight of 180.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3H-pyrrol-4-ylmethyl)propanamide is sourced from PubChem (CID 159070362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).