N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide

C18H21N3O4 — CID 89072103

IUPACN-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide
SMILESC[C@@H](N)[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H21N3O4/c1-12(19)16(18(23)21-24)20-17(22)14-9-7-13(8-10-14)11-25-15-5-3-2-4-6-15/h2-10,12,16,24H,11,19H2,1H3,(H,20,22)(H,21,23)/t12-,16+/m1/s1
InChIKeyDYOWDOAYMCVRCG-WBMJQRKESA-N
MW343.38 g/mol
LogP1.22
Rot. Bonds7

About N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide

N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide (PubChem CID 89072103) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide
PubChem CID89072103
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide
SMILESC[C@@H](N)[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H21N3O4/c1-12(19)16(18(23)21-24)20-17(22)14-9-7-13(8-10-14)11-25-15-5-3-2-4-6-15/h2-10,12,16,24H,11,19H2,1H3,(H,20,22)(H,21,23)/t12-,16+/m1/s1
InChIKeyDYOWDOAYMCVRCG-WBMJQRKESA-N
XLogP1.22
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.22
H-Bond Donors ≤ 54
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

N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
CID 41380086
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(3,7-dimethylocta-2,6-dienoxy)benzamide
CID 90738229
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-[4-[(2-fluoroethylamino)methyl]phenyl]ethynyl]benzamide
CID 59417004
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-pyridin-4-ylbenzamide
CID 89048095
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diynyl]benzamide
CID 25165077
methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 135065937

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide (CID 89072103) is N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide is C[C@@H](N)[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide?
The InChIKey is DYOWDOAYMCVRCG-WBMJQRKESA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12(19)16(18(23)21-24)20-17(22)14-9-7-13(8-10-14)11-25-15-5-3-2-4-6-15/h2-10,12,16,24H,11,19H2,1H3,(H,20,22)(H,21,23)/t12-,16+/m1/s1.
What are the key properties of N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide?
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide has a molecular weight of 343.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 89072103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).