N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

C14H25N3O2 — CID 91506681

IUPACN-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C(=O)N1CC=CC1)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-10(15-5)12(18)16-11(14(2,3)4)13(19)17-8-6-7-9-17/h6-7,10-11,15H,8-9H2,1-5H3,(H,16,18)
InChIKeyZPBBGAUSQUQRKD-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.52
Rot. Bonds4

About N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (PubChem CID 91506681) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
PubChem CID91506681
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C(=O)N1CC=CC1)C(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-10(15-5)12(18)16-11(14(2,3)4)13(19)17-8-6-7-9-17/h6-7,10-11,15H,8-9H2,1-5H3,(H,16,18)
InChIKeyZPBBGAUSQUQRKD-UHFFFAOYSA-N
XLogP0.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (CID 91506681) is N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide is CNC(C)C(=O)NC(C(=O)N1CC=CC1)C(C)(C)C.
What is the InChIKey of N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The InChIKey is ZPBBGAUSQUQRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(15-5)12(18)16-11(14(2,3)4)13(19)17-8-6-7-9-17/h6-7,10-11,15H,8-9H2,1-5H3,(H,16,18).
What are the key properties of N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide has a molecular weight of 267.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dihydropyrrol-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 91506681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).