tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate

C16H30N2O3 — CID 113056745

IUPACtert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
SMILESCC(=O)N(CCNC(=O)OC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C16H30N2O3/c1-13(19)18(14-9-7-5-6-8-10-14)12-11-17-15(20)21-16(2,3)4/h14H,5-12H2,1-4H3,(H,17,20)
InChIKeySBFXWGIOPIZNMY-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.08
Rot. Bonds4

About tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate

tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate (PubChem CID 113056745) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
PubChem CID113056745
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
SMILESCC(=O)N(CCNC(=O)OC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C16H30N2O3/c1-13(19)18(14-9-7-5-6-8-10-14)12-11-17-15(20)21-16(2,3)4/h14H,5-12H2,1-4H3,(H,17,20)
InChIKeySBFXWGIOPIZNMY-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
CID 113052169
tert-butyl N-[2-[(2-bromo-2-methylpropanoyl)-cyclohexylamino]ethyl]carbamate
CID 91537220
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113056688
methyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
CID 113052167
N-[2-[acetyl(cyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113052903
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113
N-[2-[acetyl(cyclopentyl)amino]ethyl]-2-methylpropanamide
CID 113052772
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid
CID 90205224
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-(3-cyclobutyl-3-oxopropyl)carbamate
CID 66787499

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate (CID 113056745) is tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate is CC(=O)N(CCNC(=O)OC(C)(C)C)C1CCCCCC1.
What is the InChIKey of tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate?
The InChIKey is SBFXWGIOPIZNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13(19)18(14-9-7-5-6-8-10-14)12-11-17-15(20)21-16(2,3)4/h14H,5-12H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate?
tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate is sourced from PubChem (CID 113056745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).