benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate

C19H21NO4 — CID 101173702

IUPACbenzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate
SMILESCCC(CC(=O)c1ccccc1)N(O)C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-2-17(13-18(21)16-11-7-4-8-12-16)20(23)19(22)24-14-15-9-5-3-6-10-15/h3-12,17,23H,2,13-14H2,1H3
InChIKeyDIEDVRGVBNENCL-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.07
Rot. Bonds7

About benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate

benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate (PubChem CID 101173702) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate
PubChem CID101173702
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namebenzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate
SMILESCCC(CC(=O)c1ccccc1)N(O)C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-2-17(13-18(21)16-11-7-4-8-12-16)20(23)19(22)24-14-15-9-5-3-6-10-15/h3-12,17,23H,2,13-14H2,1H3
InChIKeyDIEDVRGVBNENCL-UHFFFAOYSA-N
XLogP4.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

benzyl 2-phenacylpentanoate
CID 174539289
benzyl (3S)-3-aminopentanoate
CID 89472657
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate
CID 174607780
benzyl N,N-dimethylcarbamate
CID 12963450
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393
benzyl 3-[(dimethylamino)methyl]pentanoate
CID 166987758
(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 91613771
benzyl (2S)-2-amino-3-ethylpentanoate
CID 139415997
benzyl (3S)-3-hydroxypentanoate
CID 131888436
benzyl N-benzyl-N-ethylcarbamate
CID 70968693

Frequently Asked Questions

What is the IUPAC name of benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate?
The IUPAC name of benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate (CID 101173702) is benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate.
What is the SMILES notation for benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate?
The canonical SMILES for benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate is CCC(CC(=O)c1ccccc1)N(O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate?
The InChIKey is DIEDVRGVBNENCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-17(13-18(21)16-11-7-4-8-12-16)20(23)19(22)24-14-15-9-5-3-6-10-15/h3-12,17,23H,2,13-14H2,1H3.
What are the key properties of benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate?
benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate has a molecular weight of 327.38 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-hydroxy-N-(1-oxo-1-phenylpentan-3-yl)carbamate is sourced from PubChem (CID 101173702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).