tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate

C18H28N2O4 — CID 10854366

IUPACtert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate
SMILESCC(C)(C)OC(=O)N(C/C=N/OCc1ccccc1)CCCCO
InChIInChI=1S/C18H28N2O4/c1-18(2,3)24-17(22)20(12-7-8-14-21)13-11-19-23-15-16-9-5-4-6-10-16/h4-6,9-11,21H,7-8,12-15H2,1-3H3/b19-11+
InChIKeyRCABEWASQZKLAQ-YBFXNURJSA-N
MW336.43 g/mol
LogP3.20
Rot. Bonds9

About tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate

tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate (PubChem CID 10854366) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate
PubChem CID10854366
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nametert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate
SMILESCC(C)(C)OC(=O)N(C/C=N/OCc1ccccc1)CCCCO
InChIInChI=1S/C18H28N2O4/c1-18(2,3)24-17(22)20(12-7-8-14-21)13-11-19-23-15-16-9-5-4-6-10-16/h4-6,9-11,21H,7-8,12-15H2,1-3H3/b19-11+
InChIKeyRCABEWASQZKLAQ-YBFXNURJSA-N
XLogP3.20
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-benzyl-N-[6-(5-hydroxypentylamino)hexyl]carbamate
CID 22006341
tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate
CID 67024101
tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate
CID 68958557
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]ethyl]-N-(2-phenylmethoxyethyl)carbamate
CID 140972219
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-(3-hydroxypropyl)-N-[(4-phenoxyphenyl)methyl]carbamate
CID 167461963
tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
CID 86195236

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate?
The IUPAC name of tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate (CID 10854366) is tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate is CC(C)(C)OC(=O)N(C/C=N/OCc1ccccc1)CCCCO.
What is the InChIKey of tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate?
The InChIKey is RCABEWASQZKLAQ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(2,3)24-17(22)20(12-7-8-14-21)13-11-19-23-15-16-9-5-4-6-10-16/h4-6,9-11,21H,7-8,12-15H2,1-3H3/b19-11+.
What are the key properties of tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate?
tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate has a molecular weight of 336.43 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate is sourced from PubChem (CID 10854366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).