2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

C22H35N3O2 — CID 8793679

IUPAC2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C22H35N3O2/c1-16(2)25(19-12-7-6-8-13-19)21(27)15-24(5)14-20(26)23-22-17(3)10-9-11-18(22)4/h9-11,16,19H,6-8,12-15H2,1-5H3,(H,23,26)
InChIKeyVVYNDWWYPVFFQK-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.74
Rot. Bonds7

About 2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 8793679) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID8793679
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C22H35N3O2/c1-16(2)25(19-12-7-6-8-13-19)21(27)15-24(5)14-20(26)23-22-17(3)10-9-11-18(22)4/h9-11,16,19H,6-8,12-15H2,1-5H3,(H,23,26)
InChIKeyVVYNDWWYPVFFQK-UHFFFAOYSA-N
XLogP3.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide with MolForge

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Related Compounds

2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 8793859
N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9347975
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 9222192
2-[acetyl(cyclohexyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113159510
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78818567
N-(2,6-dimethylphenyl)-2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9221772
N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8793555
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8793567

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 8793679) is 2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N(C(C)C)C1CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is VVYNDWWYPVFFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-16(2)25(19-12-7-6-8-13-19)21(27)15-24(5)14-20(26)23-22-17(3)10-9-11-18(22)4/h9-11,16,19H,6-8,12-15H2,1-5H3,(H,23,26).
What are the key properties of 2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 373.54 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 8793679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).