N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide

C16H31N3O4 — CID 53320565

IUPACN-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide
SMILESCCCCC(CN(O)C=O)C(=O)[C@@H](NC(=O)NC(C)C)C(C)C
InChIInChI=1S/C16H31N3O4/c1-6-7-8-13(9-19(23)10-20)15(21)14(11(2)3)18-16(22)17-12(4)5/h10-14,23H,6-9H2,1-5H3,(H2,17,18,22)/t13?,14-/m0/s1
InChIKeyQSTLPNYTSUHAJD-KZUDCZAMSA-N
MW329.44 g/mol
LogP1.94
Rot. Bonds11

About N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide

N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide (PubChem CID 53320565) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide
PubChem CID53320565
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC NameN-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide
SMILESCCCCC(CN(O)C=O)C(=O)[C@@H](NC(=O)NC(C)C)C(C)C
InChIInChI=1S/C16H31N3O4/c1-6-7-8-13(9-19(23)10-20)15(21)14(11(2)3)18-16(22)17-12(4)5/h10-14,23H,6-9H2,1-5H3,(H2,17,18,22)/t13?,14-/m0/s1
InChIKeyQSTLPNYTSUHAJD-KZUDCZAMSA-N
XLogP1.94
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide (CID 53320565) is N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide is CCCCC(CN(O)C=O)C(=O)[C@@H](NC(=O)NC(C)C)C(C)C.
What is the InChIKey of N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide?
The InChIKey is QSTLPNYTSUHAJD-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H31N3O4/c1-6-7-8-13(9-19(23)10-20)15(21)14(11(2)3)18-16(22)17-12(4)5/h10-14,23H,6-9H2,1-5H3,(H2,17,18,22)/t13?,14-/m0/s1.
What are the key properties of N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide?
N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide has a molecular weight of 329.44 g/mol, XLogP of 1.94, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(propan-2-ylcarbamoylamino)hexyl]-N-hydroxyformamide is sourced from PubChem (CID 53320565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).