N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide

C14H22N4O2 — CID 91831350

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1cnc(CN(C)C(=O)CCCN2CCCC2=O)[nH]1
InChIInChI=1S/C14H22N4O2/c1-11-9-15-12(16-11)10-17(2)13(19)5-3-7-18-8-4-6-14(18)20/h9H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyRFDUQXVXYKMGTO-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.08
Rot. Bonds6

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 91831350) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID91831350
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1cnc(CN(C)C(=O)CCCN2CCCC2=O)[nH]1
InChIInChI=1S/C14H22N4O2/c1-11-9-15-12(16-11)10-17(2)13(19)5-3-7-18-8-4-6-14(18)20/h9H,3-8,10H2,1-2H3,(H,15,16)
InChIKeyRFDUQXVXYKMGTO-UHFFFAOYSA-N
XLogP1.08
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide (CID 91831350) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide is Cc1cnc(CN(C)C(=O)CCCN2CCCC2=O)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is RFDUQXVXYKMGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-9-15-12(16-11)10-17(2)13(19)5-3-7-18-8-4-6-14(18)20/h9H,3-8,10H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 278.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 91831350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).