methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate

C17H28N4O3 — CID 59540256

IUPACmethyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCCC1c1ncc(C(C)C)[nH]1)C(C)C
InChIInChI=1S/C17H28N4O3/c1-10(2)12-9-18-15(19-12)13-7-6-8-21(13)16(22)14(11(3)4)20-17(23)24-5/h9-11,13-14H,6-8H2,1-5H3,(H,18,19)(H,20,23)
InChIKeyBCIPPJBIPZSQJN-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.58
Rot. Bonds5

About methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate

methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate (PubChem CID 59540256) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate
PubChem CID59540256
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Namemethyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCCC1c1ncc(C(C)C)[nH]1)C(C)C
InChIInChI=1S/C17H28N4O3/c1-10(2)12-9-18-15(19-12)13-7-6-8-21(13)16(22)14(11(3)4)20-17(23)24-5/h9-11,13-14H,6-8H2,1-5H3,(H,18,19)(H,20,23)
InChIKeyBCIPPJBIPZSQJN-UHFFFAOYSA-N
XLogP2.58
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?
The IUPAC name of methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate (CID 59540256) is methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate.
What is the SMILES notation for methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?
The canonical SMILES for methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate is COC(=O)NC(C(=O)N1CCCC1c1ncc(C(C)C)[nH]1)C(C)C.
What is the InChIKey of methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?
The InChIKey is BCIPPJBIPZSQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-10(2)12-9-18-15(19-12)13-7-6-8-21(13)16(22)14(11(3)4)20-17(23)24-5/h9-11,13-14H,6-8H2,1-5H3,(H,18,19)(H,20,23).
What are the key properties of methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?
methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate has a molecular weight of 336.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-methyl-1-oxo-1-[2-(5-propan-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 59540256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).