(2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide

C16H32N2O5 — CID 153409046

IUPAC(2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide
SMILESCC(C)C[C@H](O[C@@H](CC(C)C)C(=O)NCCO)C(=O)NCCO
InChIInChI=1S/C16H32N2O5/c1-11(2)9-13(15(21)17-5-7-19)23-14(10-12(3)4)16(22)18-6-8-20/h11-14,19-20H,5-10H2,1-4H3,(H,17,21)(H,18,22)/t13-,14-/m0/s1
InChIKeyFWKNHCPDFJUHAB-KBPBESRZSA-N
MW332.44 g/mol
LogP0.05
Rot. Bonds12

About (2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide

(2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide (PubChem CID 153409046) has the molecular formula C16H32N2O5 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide
PubChem CID153409046
Molecular FormulaC16H32N2O5
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC Name(2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide
SMILESCC(C)C[C@H](O[C@@H](CC(C)C)C(=O)NCCO)C(=O)NCCO
InChIInChI=1S/C16H32N2O5/c1-11(2)9-13(15(21)17-5-7-19)23-14(10-12(3)4)16(22)18-6-8-20/h11-14,19-20H,5-10H2,1-4H3,(H,17,21)(H,18,22)/t13-,14-/m0/s1
InChIKeyFWKNHCPDFJUHAB-KBPBESRZSA-N
XLogP0.05
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide?
The IUPAC name of (2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide (CID 153409046) is (2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide.
What is the SMILES notation for (2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide?
The canonical SMILES for (2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide is CC(C)C[C@H](O[C@@H](CC(C)C)C(=O)NCCO)C(=O)NCCO.
What is the InChIKey of (2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide?
The InChIKey is FWKNHCPDFJUHAB-KBPBESRZSA-N. The full InChI is InChI=1S/C16H32N2O5/c1-11(2)9-13(15(21)17-5-7-19)23-14(10-12(3)4)16(22)18-6-8-20/h11-14,19-20H,5-10H2,1-4H3,(H,17,21)(H,18,22)/t13-,14-/m0/s1.
What are the key properties of (2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide?
(2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide has a molecular weight of 332.44 g/mol, XLogP of 0.05, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxyethyl)-2-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]oxy-4-methylpentanamide is sourced from PubChem (CID 153409046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).