N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide

C20H32N4O2 — CID 11089704

IUPACN-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCC(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H32N4O2/c21-13-18-7-4-12-24(18)19(25)14-22-16-8-10-17(11-9-16)23-20(26)15-5-2-1-3-6-15/h15-18,22H,1-12,14H2,(H,23,26)/t16?,17?,18-/m0/s1
InChIKeyXBABBJDZXQQCAZ-ABHNRTSZSA-N
MW360.50 g/mol
LogP2.10
Rot. Bonds5

About N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide

N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide (PubChem CID 11089704) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide
PubChem CID11089704
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC1CCC(NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H32N4O2/c21-13-18-7-4-12-24(18)19(25)14-22-16-8-10-17(11-9-16)23-20(26)15-5-2-1-3-6-15/h15-18,22H,1-12,14H2,(H,23,26)/t16?,17?,18-/m0/s1
InChIKeyXBABBJDZXQQCAZ-ABHNRTSZSA-N
XLogP2.10
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide (CID 11089704) is N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide is N#C[C@@H]1CCCN1C(=O)CNC1CCC(NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide?
The InChIKey is XBABBJDZXQQCAZ-ABHNRTSZSA-N. The full InChI is InChI=1S/C20H32N4O2/c21-13-18-7-4-12-24(18)19(25)14-22-16-8-10-17(11-9-16)23-20(26)15-5-2-1-3-6-15/h15-18,22H,1-12,14H2,(H,23,26)/t16?,17?,18-/m0/s1.
What are the key properties of N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide?
N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]cyclohexanecarboxamide is sourced from PubChem (CID 11089704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).