(2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide

C18H33N3O4 — CID 10808125

IUPAC(2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO)C1CCCCC1
InChIInChI=1S/C18H33N3O4/c1-11(2)10-14(12(3)16(22)21-25)17(23)20-15(18(24)19-4)13-8-6-5-7-9-13/h11-15,25H,5-10H2,1-4H3,(H,19,24)(H,20,23)(H,21,22)/t12-,14+,15-/m0/s1
InChIKeyRHWGGEKVTPKRQW-CFVMTHIKSA-N
MW355.48 g/mol
LogP1.60
Rot. Bonds8

About (2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide

(2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide (PubChem CID 10808125) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide
PubChem CID10808125
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Name(2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO)C1CCCCC1
InChIInChI=1S/C18H33N3O4/c1-11(2)10-14(12(3)16(22)21-25)17(23)20-15(18(24)19-4)13-8-6-5-7-9-13/h11-15,25H,5-10H2,1-4H3,(H,19,24)(H,20,23)(H,21,22)/t12-,14+,15-/m0/s1
InChIKeyRHWGGEKVTPKRQW-CFVMTHIKSA-N
XLogP1.60
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide?
The IUPAC name of (2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide (CID 10808125) is (2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide?
The canonical SMILES for (2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide is CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO)C1CCCCC1.
What is the InChIKey of (2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide?
The InChIKey is RHWGGEKVTPKRQW-CFVMTHIKSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-11(2)10-14(12(3)16(22)21-25)17(23)20-15(18(24)19-4)13-8-6-5-7-9-13/h11-15,25H,5-10H2,1-4H3,(H,19,24)(H,20,23)(H,21,22)/t12-,14+,15-/m0/s1.
What are the key properties of (2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide?
(2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide has a molecular weight of 355.48 g/mol, XLogP of 1.60, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N'-hydroxy-3-methyl-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 10808125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).