tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate

C16H32N2O3 — CID 107247104

IUPACtert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate
SMILESCCC1CC(NCCC(C)NC(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C16H32N2O3/c1-6-14-11-13(8-10-20-14)17-9-7-12(2)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyKZWODIPWQORVLG-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.84
Rot. Bonds6

About tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate

tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate (PubChem CID 107247104) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate
PubChem CID107247104
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate
SMILESCCC1CC(NCCC(C)NC(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C16H32N2O3/c1-6-14-11-13(8-10-20-14)17-9-7-12(2)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyKZWODIPWQORVLG-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 107248027
tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107247031
tert-butyl N-[4-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107247078
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
CID 107246964
tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 103991365
tert-butyl 3-[[(2-ethyloxan-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 107242518
tert-butyl N-[4-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107247033
tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate
CID 122497575
tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate
CID 103930694
2-[2-[(2-ethyloxan-4-yl)amino]ethoxy]acetamide
CID 106236551
tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate
CID 124856782
tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate
CID 103991105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate (CID 107247104) is tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate is CCC1CC(NCCC(C)NC(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate?
The InChIKey is KZWODIPWQORVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-6-14-11-13(8-10-20-14)17-9-7-12(2)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-ethyloxan-4-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 107247104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).