tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate

C16H24N2O3 — CID 173385151

IUPACtert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(=NO)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)17-12-8-7-11-14(18-20)13-9-5-4-6-10-13/h4-6,9-10,20H,7-8,11-12H2,1-3H3,(H,17,19)
InChIKeyRNYMJYOWHIYCOE-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.56
Rot. Bonds6

About tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate

tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate (PubChem CID 173385151) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate
PubChem CID173385151
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(=NO)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)17-12-8-7-11-14(18-20)13-9-5-4-6-10-13/h4-6,9-10,20H,7-8,11-12H2,1-3H3,(H,17,19)
InChIKeyRNYMJYOWHIYCOE-UHFFFAOYSA-N
XLogP3.56
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630
tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate
CID 9471691
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
methyl 5-hydroxyimino-5-phenylpentanoate
CID 85308138
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
CID 59535553
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate
CID 67590944
6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxohexanoic acid
CID 91098300
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
CID 9138499
tert-butyl 5-(phenylmethoxycarbonylamino)pentanoate
CID 10638439
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate?
The IUPAC name of tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate (CID 173385151) is tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate?
The canonical SMILES for tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate is CC(C)(C)OC(=O)NCCCCC(=NO)c1ccccc1.
What is the InChIKey of tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate?
The InChIKey is RNYMJYOWHIYCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)17-12-8-7-11-14(18-20)13-9-5-4-6-10-13/h4-6,9-10,20H,7-8,11-12H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate?
tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate has a molecular weight of 292.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-hydroxyimino-5-phenylpentyl)carbamate is sourced from PubChem (CID 173385151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).