N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide

C16H22N2O5 — CID 59698272

IUPACN-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(CO)C(=O)NO)cc1C(C)C
InChIInChI=1S/C16H22N2O5/c1-4-7-23-14-6-5-11(8-12(14)10(2)3)15(20)17-13(9-19)16(21)18-22/h4-6,8,10,13,19,22H,1,7,9H2,2-3H3,(H,17,20)(H,18,21)
InChIKeyGWYNXSKXELFADX-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.97
Rot. Bonds8

About N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide

N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide (PubChem CID 59698272) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide
PubChem CID59698272
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC NameN-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(CO)C(=O)NO)cc1C(C)C
InChIInChI=1S/C16H22N2O5/c1-4-7-23-14-6-5-11(8-12(14)10(2)3)15(20)17-13(9-19)16(21)18-22/h4-6,8,10,13,19,22H,1,7,9H2,2-3H3,(H,17,20)(H,18,21)
InChIKeyGWYNXSKXELFADX-UHFFFAOYSA-N
XLogP0.97
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-fluoro-N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]benzamide
CID 11129875
methyl (2R)-3-hydroxy-2-[[4-prop-2-enoxy-3-(trifluoromethyl)benzoyl]amino]propanoate
CID 11013454
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
CID 27861011
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46654068
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-prop-2-enoxy-3-(trifluoromethyl)benzamide
CID 58342683
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-hydroxypropanoate
CID 9277507
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119526888
3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 24547727
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide?
The IUPAC name of N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide (CID 59698272) is N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC(CO)C(=O)NO)cc1C(C)C.
What is the InChIKey of N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide?
The InChIKey is GWYNXSKXELFADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-7-23-14-6-5-11(8-12(14)10(2)3)15(20)17-13(9-19)16(21)18-22/h4-6,8,10,13,19,22H,1,7,9H2,2-3H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide?
N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide has a molecular weight of 322.36 g/mol, XLogP of 0.97, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-3-propan-2-yl-4-prop-2-enoxybenzamide is sourced from PubChem (CID 59698272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).