2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C23H35N3O2 — CID 8622078

IUPAC2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCN(C(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C)C1=CCCCC1
InChIInChI=1S/C23H35N3O2/c1-6-12-26(20-10-8-7-9-11-20)22(28)16-25(5)15-21(27)24-23-18(3)13-17(2)14-19(23)4/h10,13-14H,6-9,11-12,15-16H2,1-5H3,(H,24,27)
InChIKeyUTBOURFPSUGACJ-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.18
Rot. Bonds8

About 2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 8622078) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID8622078
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCN(C(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C)C1=CCCCC1
InChIInChI=1S/C23H35N3O2/c1-6-12-26(20-10-8-7-9-11-20)22(28)16-25(5)15-21(27)24-23-18(3)13-17(2)14-19(23)4/h10,13-14H,6-9,11-12,15-16H2,1-5H3,(H,24,27)
InChIKeyUTBOURFPSUGACJ-UHFFFAOYSA-N
XLogP4.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[cyclopenten-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8556401
2-[[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8621837
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622003
N-(cyclohexen-1-yl)-N-ethyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665980
2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8709957
2-[methyl-(3-oxo-3-piperidin-1-ylpropyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 78860531
2-[acetyl(propyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113158011
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
2-[[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8709907
3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide
CID 34698785
2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8635344

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 8622078) is 2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is CCCN(C(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C)C1=CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is UTBOURFPSUGACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-6-12-26(20-10-8-7-9-11-20)22(28)16-25(5)15-21(27)24-23-18(3)13-17(2)14-19(23)4/h10,13-14H,6-9,11-12,15-16H2,1-5H3,(H,24,27).
What are the key properties of 2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 385.55 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 8622078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).