2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide

C12H21N3O — CID 103725431

IUPAC2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCC(C)(C)NCC(=O)NCCn1cccc1
InChIInChI=1S/C12H21N3O/c1-12(2,3)14-10-11(16)13-6-9-15-7-4-5-8-15/h4-5,7-8,14H,6,9-10H2,1-3H3,(H,13,16)
InChIKeyFCTZYIJFAQQKLL-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.99
Rot. Bonds5

About 2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide

2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 103725431) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID103725431
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCC(C)(C)NCC(=O)NCCn1cccc1
InChIInChI=1S/C12H21N3O/c1-12(2,3)14-10-11(16)13-6-9-15-7-4-5-8-15/h4-5,7-8,14H,6,9-10H2,1-3H3,(H,13,16)
InChIKeyFCTZYIJFAQQKLL-UHFFFAOYSA-N
XLogP0.99
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 112685077
2-hydroxy-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106509780
2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide
CID 103716164
4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide
CID 103846233
2-(tert-butylamino)-N-propylacetamide
CID 28586578
2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide
CID 106390962
N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 78972996
3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide
CID 54951704
2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide
CID 103725449
2-(tert-butylamino)-N-[(2R)-2-hydroxypropyl]acetamide
CID 103884721
1-butyl-3-(2-pyrrol-1-ylethyl)urea
CID 103740925
1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea
CID 103731722

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide (CID 103725431) is 2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide is CC(C)(C)NCC(=O)NCCn1cccc1.
What is the InChIKey of 2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is FCTZYIJFAQQKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)14-10-11(16)13-6-9-15-7-4-5-8-15/h4-5,7-8,14H,6,9-10H2,1-3H3,(H,13,16).
What are the key properties of 2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide?
2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 103725431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).