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

C19H29N3O4 — CID 53321866

IUPACN-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C
InChIInChI=1S/C19H29N3O4/c1-4-5-9-15(12-22(26)13-23)18(24)17(14(2)3)21-19(25)20-16-10-7-6-8-11-16/h6-8,10-11,13-15,17,26H,4-5,9,12H2,1-3H3,(H2,20,21,25)/t15-,17+/m1/s1
InChIKeyPDQMNJYIIDOUMK-WBVHZDCISA-N
MW363.46 g/mol
LogP3.06
Rot. Bonds11

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

N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide (PubChem CID 53321866) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide
PubChem CID53321866
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C
InChIInChI=1S/C19H29N3O4/c1-4-5-9-15(12-22(26)13-23)18(24)17(14(2)3)21-19(25)20-16-10-7-6-8-11-16/h6-8,10-11,13-15,17,26H,4-5,9,12H2,1-3H3,(H2,20,21,25)/t15-,17+/m1/s1
InChIKeyPDQMNJYIIDOUMK-WBVHZDCISA-N
XLogP3.06
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.06
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-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide (CID 53321866) is N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide is CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C.
What is the InChIKey of N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide?
The InChIKey is PDQMNJYIIDOUMK-WBVHZDCISA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-5-9-15(12-22(26)13-23)18(24)17(14(2)3)21-19(25)20-16-10-7-6-8-11-16/h6-8,10-11,13-15,17,26H,4-5,9,12H2,1-3H3,(H2,20,21,25)/t15-,17+/m1/s1.
What are the key properties of N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide?
N-[(2R,4S)-2-butyl-5-methyl-3-oxo-4-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide has a molecular weight of 363.46 g/mol, XLogP of 3.06, 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-(phenylcarbamoylamino)hexyl]-N-hydroxyformamide is sourced from PubChem (CID 53321866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).