tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate

C16H24N2O3 — CID 123588396

IUPACtert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate
SMILESCC(=O)CCCCN(C(=O)OC(C)(C)C)c1ccccn1
InChIInChI=1S/C16H24N2O3/c1-13(19)9-6-8-12-18(14-10-5-7-11-17-14)15(20)21-16(2,3)4/h5,7,10-11H,6,8-9,12H2,1-4H3
InChIKeyWQECETUYYYMJMP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.58
Rot. Bonds6

About tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate

tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate (PubChem CID 123588396) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate
PubChem CID123588396
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate
SMILESCC(=O)CCCCN(C(=O)OC(C)(C)C)c1ccccn1
InChIInChI=1S/C16H24N2O3/c1-13(19)9-6-8-12-18(14-10-5-7-11-17-14)15(20)21-16(2,3)4/h5,7,10-11H,6,8-9,12H2,1-4H3
InChIKeyWQECETUYYYMJMP-UHFFFAOYSA-N
XLogP3.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
[5-[4-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]butyl]-1,3,4-thiadiazol-2-yl] formate
CID 57057466
3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoylcarbamoyl hydrogen carbonate
CID 22594305
tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate
CID 142656048
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate
CID 58230695
3-[3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propyl]-2H-indazole-5-carboxylic acid
CID 67660697
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propoxy]phenyl]propanoate
CID 59665383
methyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]ethoxy]benzoate
CID 54123993
tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate
CID 58230701
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid
CID 23450228
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate?
The IUPAC name of tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate (CID 123588396) is tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate is CC(=O)CCCCN(C(=O)OC(C)(C)C)c1ccccn1.
What is the InChIKey of tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate?
The InChIKey is WQECETUYYYMJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(19)9-6-8-12-18(14-10-5-7-11-17-14)15(20)21-16(2,3)4/h5,7,10-11H,6,8-9,12H2,1-4H3.
What are the key properties of tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate?
tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate has a molecular weight of 292.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate is sourced from PubChem (CID 123588396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).