N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide

C17H31N3O2 — CID 8768439

IUPACN-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCN(C(=O)CN(C)CC(=O)NC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C17H31N3O2/c1-6-20(14-10-8-7-9-11-14)16(22)13-19(5)12-15(21)18-17(2,3)4/h10H,6-9,11-13H2,1-5H3,(H,18,21)
InChIKeyONJLIGCBZSBXSG-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.14
Rot. Bonds6

About N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8768439) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8768439
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCN(C(=O)CN(C)CC(=O)NC(C)(C)C)C1=CCCCC1
InChIInChI=1S/C17H31N3O2/c1-6-20(14-10-8-7-9-11-14)16(22)13-19(5)12-15(21)18-17(2,3)4/h10H,6-9,11-13H2,1-5H3,(H,18,21)
InChIKeyONJLIGCBZSBXSG-UHFFFAOYSA-N
XLogP2.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide (CID 8768439) is N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide is CCN(C(=O)CN(C)CC(=O)NC(C)(C)C)C1=CCCCC1.
What is the InChIKey of N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is ONJLIGCBZSBXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-6-20(14-10-8-7-9-11-14)16(22)13-19(5)12-15(21)18-17(2,3)4/h10H,6-9,11-13H2,1-5H3,(H,18,21).
What are the key properties of N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 309.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8768439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).