2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide

C12H21N3O — CID 71980029

IUPAC2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCC(C)N(C)CC(=O)NCCn1cccc1
InChIInChI=1S/C12H21N3O/c1-11(2)14(3)10-12(16)13-6-9-15-7-4-5-8-15/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,13,16)
InChIKeyRXGGGXVKNUSYDS-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.94
Rot. Bonds6

About 2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide

2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 71980029) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID71980029
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCC(C)N(C)CC(=O)NCCn1cccc1
InChIInChI=1S/C12H21N3O/c1-11(2)14(3)10-12(16)13-6-9-15-7-4-5-8-15/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,13,16)
InChIKeyRXGGGXVKNUSYDS-UHFFFAOYSA-N
XLogP0.94
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
N-Acetylpyrrole
CID 521947
(2S)-2-(2-oxo-4-pyrrol-1-ylpyrrolidin-1-yl)butanamide
CID 9834598
methyl(2-(1H-pyrrol-1-yl)ethyl)amine
CID 59730499
1-(4-Propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343142
1-(4-Ethylpiperazino)-3-(1H-pyrrol-1-YL)-1-propanone
CID 46343155
N-[1-(methylsulfonyl)piperidin-4-yl]-2-(1H-pyrrol-1-yl)pentanamide
CID 56867451
1-ethyl-5-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-pyrrolidinecarboxamide
CID 71980030
1-(1H-Pyrrol-1-yl)propan-1-one
CID 11564473
N-Butanoylpyrrole
CID 12853317
N-(1-Methyl-1H-pyrrol-3-yl)acetamide
CID 12674382
N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide
CID 2822464

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide (CID 71980029) is 2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide is CC(C)N(C)CC(=O)NCCn1cccc1.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is RXGGGXVKNUSYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2)14(3)10-12(16)13-6-9-15-7-4-5-8-15/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,13,16).
What are the key properties of 2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide?
2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 71980029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).