2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide

C11H19N3O — CID 79100317

IUPAC2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide
SMILESCc1ccc(C)n1NCC(=O)NC(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)13-11(15)7-12-14-9(3)5-6-10(14)4/h5-6,8,12H,7H2,1-4H3,(H,13,15)
InChIKeyFYZGMEAQQNIEMA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.17
Rot. Bonds4

About 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide

2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide (PubChem CID 79100317) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide
PubChem CID79100317
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide
SMILESCc1ccc(C)n1NCC(=O)NC(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)13-11(15)7-12-14-9(3)5-6-10(14)4/h5-6,8,12H,7H2,1-4H3,(H,13,15)
InChIKeyFYZGMEAQQNIEMA-UHFFFAOYSA-N
XLogP1.17
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-anilino-2-oxoethyl)amino]-N-propan-2-ylpropanamide
CID 115586548
4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 41337865
2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
CID 62314829
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 60965904
2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103255863
2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 107710571
N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
CID 60664312
2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400024
2-[(2,3-dihydroxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 61318874
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 28586640
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide (CID 79100317) is 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide is Cc1ccc(C)n1NCC(=O)NC(C)C.
What is the InChIKey of 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is FYZGMEAQQNIEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)13-11(15)7-12-14-9(3)5-6-10(14)4/h5-6,8,12H,7H2,1-4H3,(H,13,15).
What are the key properties of 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide?
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 209.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrrol-1-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 79100317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).