2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide

C12H21N3O — CID 106390962

IUPAC2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide
SMILESCC(C)(C)C(N)C(=O)NCCn1cccc1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10(13)11(16)14-6-9-15-7-4-5-8-15/h4-5,7-8,10H,6,9,13H2,1-3H3,(H,14,16)
InChIKeyNKAXFZVOFSBCBO-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.98
Rot. Bonds4

About 2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide

2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide (PubChem CID 106390962) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide
PubChem CID106390962
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide
SMILESCC(C)(C)C(N)C(=O)NCCn1cccc1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10(13)11(16)14-6-9-15-7-4-5-8-15/h4-5,7-8,10H,6,9,13H2,1-3H3,(H,14,16)
InChIKeyNKAXFZVOFSBCBO-UHFFFAOYSA-N
XLogP0.98
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
(2S)-2-(2-oxo-4-pyrrol-1-ylpyrrolidin-1-yl)butanamide
CID 9834598
1-ethyl-5-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-pyrrolidinecarboxamide
CID 71980030
1-cyclohexyl-N-[2-(1H-pyrrol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72839938
1-cyclopentyl-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72869374
1-ethyl-6-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72936372
N-Butanoylpyrrole
CID 12853317
N-[2-(1-azepanyl)ethyl]-3-(1H-pyrrol-1-yl)propanamide
CID 45106881
N-cyclopropyl-3-pyrrol-1-ylpropanamide
CID 45106935
N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 53015442
1H-Pyrrole-1-acetamide
CID 19973177
2,2-Dimethyl-1-(1H-pyrrol-1-yl)propan-1-one
CID 21576338

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide (CID 106390962) is 2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide is CC(C)(C)C(N)C(=O)NCCn1cccc1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide?
The InChIKey is NKAXFZVOFSBCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)10(13)11(16)14-6-9-15-7-4-5-8-15/h4-5,7-8,10H,6,9,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide?
2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide has a molecular weight of 223.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide is sourced from PubChem (CID 106390962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).