N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide

C21H32N2O3 — CID 166206981

IUPACN-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide
SMILESCCNC(=O)c1ccccc1NC(=O)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C21H32N2O3/c1-5-22-21(25)17-8-6-7-9-18(17)23-20(24)13-26-19-12-15(4)10-11-16(19)14(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeySRCVDEXRKPHDAN-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.85
Rot. Bonds7

About N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide

N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide (PubChem CID 166206981) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide
PubChem CID166206981
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide
SMILESCCNC(=O)c1ccccc1NC(=O)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C21H32N2O3/c1-5-22-21(25)17-8-6-7-9-18(17)23-20(24)13-26-19-12-15(4)10-11-16(19)14(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeySRCVDEXRKPHDAN-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide?
The IUPAC name of N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide (CID 166206981) is N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide?
The canonical SMILES for N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide is CCNC(=O)c1ccccc1NC(=O)COC1CC(C)CCC1C(C)C.
What is the InChIKey of N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide?
The InChIKey is SRCVDEXRKPHDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-5-22-21(25)17-8-6-7-9-18(17)23-20(24)13-26-19-12-15(4)10-11-16(19)14(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide?
N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide has a molecular weight of 360.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide is sourced from PubChem (CID 166206981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).