N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide

C16H26N4O2 — CID 173234229

IUPACN-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide
SMILESN#CC1(N(CC(N)=O)C(=O)CCC2CCCCC2)CCNC1
InChIInChI=1S/C16H26N4O2/c17-11-16(8-9-19-12-16)20(10-14(18)21)15(22)7-6-13-4-2-1-3-5-13/h13,19H,1-10,12H2,(H2,18,21)
InChIKeyBCPOOOZGULYGOQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.92
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide

N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide (PubChem CID 173234229) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide
PubChem CID173234229
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide
SMILESN#CC1(N(CC(N)=O)C(=O)CCC2CCCCC2)CCNC1
InChIInChI=1S/C16H26N4O2/c17-11-16(8-9-19-12-16)20(10-14(18)21)15(22)7-6-13-4-2-1-3-5-13/h13,19H,1-10,12H2,(H2,18,21)
InChIKeyBCPOOOZGULYGOQ-UHFFFAOYSA-N
XLogP0.92
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide (CID 173234229) is N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide is N#CC1(N(CC(N)=O)C(=O)CCC2CCCCC2)CCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide?
The InChIKey is BCPOOOZGULYGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c17-11-16(8-9-19-12-16)20(10-14(18)21)15(22)7-6-13-4-2-1-3-5-13/h13,19H,1-10,12H2,(H2,18,21).
What are the key properties of N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide?
N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 173234229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).