N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C17H26N4O2 — CID 50973796

IUPACN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)N(Cc2nccn2C)C2CC2)CC1=O
InChIInChI=1S/C17H26N4O2/c1-12(2)9-20-10-13(8-16(20)22)17(23)21(14-4-5-14)11-15-18-6-7-19(15)3/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyOZOGZIOKXBYEKV-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.42
Rot. Bonds6

About N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 50973796) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID50973796
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)N(Cc2nccn2C)C2CC2)CC1=O
InChIInChI=1S/C17H26N4O2/c1-12(2)9-20-10-13(8-16(20)22)17(23)21(14-4-5-14)11-15-18-6-7-19(15)3/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyOZOGZIOKXBYEKV-UHFFFAOYSA-N
XLogP1.42
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 50973796) is N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)N(Cc2nccn2C)C2CC2)CC1=O.
What is the InChIKey of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OZOGZIOKXBYEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(2)9-20-10-13(8-16(20)22)17(23)21(14-4-5-14)11-15-18-6-7-19(15)3/h6-7,12-14H,4-5,8-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50973796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).