ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate

C18H32N2O4 — CID 3245408

IUPACethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(NC(=O)C1CCC(C)CC1)C(C)CC
InChIInChI=1S/C18H32N2O4/c1-5-13(4)16(18(23)19-11-15(21)24-6-2)20-17(22)14-9-7-12(3)8-10-14/h12-14,16H,5-11H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyUEUGPEGAOVSFQA-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.02
Rot. Bonds8

About ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate

ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate (PubChem CID 3245408) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate
PubChem CID3245408
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nameethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(NC(=O)C1CCC(C)CC1)C(C)CC
InChIInChI=1S/C18H32N2O4/c1-5-13(4)16(18(23)19-11-15(21)24-6-2)20-17(22)14-9-7-12(3)8-10-14/h12-14,16H,5-11H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyUEUGPEGAOVSFQA-UHFFFAOYSA-N
XLogP2.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate (CID 3245408) is ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate is CCOC(=O)CNC(=O)C(NC(=O)C1CCC(C)CC1)C(C)CC.
What is the InChIKey of ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate?
The InChIKey is UEUGPEGAOVSFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-5-13(4)16(18(23)19-11-15(21)24-6-2)20-17(22)14-9-7-12(3)8-10-14/h12-14,16H,5-11H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate?
ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate has a molecular weight of 340.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]acetate is sourced from PubChem (CID 3245408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).