tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate

C19H30N2O4 — CID 59535553

IUPACtert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C19H30N2O4/c1-19(2,3)25-18(23)20-14-10-5-4-9-13-17(22)21-24-15-16-11-7-6-8-12-16/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLAPLZFMMLBYQBE-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.71
Rot. Bonds10

About tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate

tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate (PubChem CID 59535553) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
PubChem CID59535553
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Nametert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C19H30N2O4/c1-19(2,3)25-18(23)20-14-10-5-4-9-13-17(22)21-24-15-16-11-7-6-8-12-16/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyLAPLZFMMLBYQBE-UHFFFAOYSA-N
XLogP3.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-oxo-4-(phenylmethoxyamino)butyl]carbamate
CID 9227591
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
CID 10382434
tert-butyl 5-(phenylmethoxycarbonylamino)pentanoate
CID 10638439
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
CID 9138499
N-phenylmethoxyhexanamide
CID 60717350
7-amino-N-phenylmethoxyheptanamide
CID 59535540
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylcarbamothioyl]carbamate
CID 11234845
tritert-butyl 10-[6-(phenylmethoxycarbonylamino)hexanoyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 118541021
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
[6-oxo-6-(phenylmethoxyamino)hexyl]azanium
CID 59535547

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate?
The IUPAC name of tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate (CID 59535553) is tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate.
What is the SMILES notation for tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate?
The canonical SMILES for tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate is CC(C)(C)OC(=O)NCCCCCCC(=O)NOCc1ccccc1.
What is the InChIKey of tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate?
The InChIKey is LAPLZFMMLBYQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-19(2,3)25-18(23)20-14-10-5-4-9-13-17(22)21-24-15-16-11-7-6-8-12-16/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate?
tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate has a molecular weight of 350.46 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate is sourced from PubChem (CID 59535553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).