N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide

C13H18N2O5 — CID 54310499

IUPACN-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide
SMILESCCONC(=O)C(CC(=O)NO)OCc1ccccc1
InChIInChI=1S/C13H18N2O5/c1-2-20-15-13(17)11(8-12(16)14-18)19-9-10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3,(H,14,16)(H,15,17)
InChIKeySKNKYOJZSRNOTA-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.54
Rot. Bonds8

About N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide

N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide (PubChem CID 54310499) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide.

Molecular Properties

Compound NameN-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide
PubChem CID54310499
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide
SMILESCCONC(=O)C(CC(=O)NO)OCc1ccccc1
InChIInChI=1S/C13H18N2O5/c1-2-20-15-13(17)11(8-12(16)14-18)19-9-10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3,(H,14,16)(H,15,17)
InChIKeySKNKYOJZSRNOTA-UHFFFAOYSA-N
XLogP0.54
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(Benzyloxy)propanamide
CID 344960
2-Phenyl-[1,3]dioxolane-4,5-dicarboxylic acid diamide
CID 570595
Benzyloxyacetohydroxamic
CID 130650652
N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide
CID 20571153
N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide
CID 54055046
2-[(4-Fluorophenyl)methoxy]pent-4-enamide
CID 90939043
N-hydroxy-2-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)pentanamide
CID 140333047
3-Benzyloxy-valeramide
CID 53427505
(2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide
CID 102342659
2-[(2-Fluorophenyl)methoxy]butanamide
CID 63936560
2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide
CID 81341057
2-Phenyl-1,3-dioxolane-4,5-dicarboxamide
CID 774800

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide?
The IUPAC name of N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide (CID 54310499) is N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide.
What is the SMILES notation for N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide?
The canonical SMILES for N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide is CCONC(=O)C(CC(=O)NO)OCc1ccccc1.
What is the InChIKey of N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide?
The InChIKey is SKNKYOJZSRNOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-2-20-15-13(17)11(8-12(16)14-18)19-9-10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide?
N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide has a molecular weight of 282.30 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide is sourced from PubChem (CID 54310499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).