N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide

C17H29N3O3 — CID 3448317

IUPACN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(C)C(=O)C1CCC(=O)N1
InChIInChI=1S/C17H29N3O3/c1-4-17(2,16(23)18-12-8-6-5-7-9-12)20(3)15(22)13-10-11-14(21)19-13/h12-13H,4-11H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyUFXKTFFJFSQFCM-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.34
Rot. Bonds5

About N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide

N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 3448317) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID3448317
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(C)C(=O)C1CCC(=O)N1
InChIInChI=1S/C17H29N3O3/c1-4-17(2,16(23)18-12-8-6-5-7-9-12)20(3)15(22)13-10-11-14(21)19-13/h12-13H,4-11H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyUFXKTFFJFSQFCM-UHFFFAOYSA-N
XLogP1.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide (CID 3448317) is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide is CCC(C)(C(=O)NC1CCCCC1)N(C)C(=O)C1CCC(=O)N1.
What is the InChIKey of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UFXKTFFJFSQFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-4-17(2,16(23)18-12-8-6-5-7-9-12)20(3)15(22)13-10-11-14(21)19-13/h12-13H,4-11H2,1-3H3,(H,18,23)(H,19,21).
What are the key properties of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3448317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).