5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide

C18H36N2O3 — CID 139501120

IUPAC5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide
SMILESCCCC(CC)C(=O)NCCC(C)C(CCC)C(=O)NCCO
InChIInChI=1S/C18H36N2O3/c1-5-8-15(7-3)17(22)19-11-10-14(4)16(9-6-2)18(23)20-12-13-21/h14-16,21H,5-13H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyCDHCLBXHAMEZSN-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.48
Rot. Bonds13

About 5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide

5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide (PubChem CID 139501120) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is 5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide.

Molecular Properties

Compound Name5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide
PubChem CID139501120
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Name5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide
SMILESCCCC(CC)C(=O)NCCC(C)C(CCC)C(=O)NCCO
InChIInChI=1S/C18H36N2O3/c1-5-8-15(7-3)17(22)19-11-10-14(4)16(9-6-2)18(23)20-12-13-21/h14-16,21H,5-13H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyCDHCLBXHAMEZSN-UHFFFAOYSA-N
XLogP2.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide?
The IUPAC name of 5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide (CID 139501120) is 5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide.
What is the SMILES notation for 5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide?
The canonical SMILES for 5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide is CCCC(CC)C(=O)NCCC(C)C(CCC)C(=O)NCCO.
What is the InChIKey of 5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide?
The InChIKey is CDHCLBXHAMEZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-5-8-15(7-3)17(22)19-11-10-14(4)16(9-6-2)18(23)20-12-13-21/h14-16,21H,5-13H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide?
5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide has a molecular weight of 328.50 g/mol, XLogP of 2.48, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide is sourced from PubChem (CID 139501120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).