tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate

C20H36N2O4 — CID 60545517

IUPACtert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC(=O)COC2CCCC2)CCCCCC1
InChIInChI=1S/C20H36N2O4/c1-19(2,3)26-18(24)22-20(12-8-4-5-9-13-20)15-21-17(23)14-25-16-10-6-7-11-16/h16H,4-15H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySNUBZRNWMIXDKL-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.68
Rot. Bonds6

About tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate

tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate (PubChem CID 60545517) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate
PubChem CID60545517
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Nametert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC(=O)COC2CCCC2)CCCCCC1
InChIInChI=1S/C20H36N2O4/c1-19(2,3)26-18(24)22-20(12-8-4-5-9-13-20)15-21-17(23)14-25-16-10-6-7-11-16/h16H,4-15H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySNUBZRNWMIXDKL-UHFFFAOYSA-N
XLogP3.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cycloheptyl]carbamate
CID 87036408
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tert-butyl N-[1-[[(2-cyano-2-methylpropanoyl)amino]methyl]cycloheptyl]carbamate
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CID 31863595
tert-butyl N-[1-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]cycloheptyl]carbamate
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tert-butyl N-[1-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]cycloheptyl]carbamate
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tert-butyl N-[1-[[(4-carbamoylbenzoyl)amino]methyl]cycloheptyl]carbamate
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tert-butyl N-[1-[[[2-(4-nitrophenyl)acetyl]amino]methyl]cycloheptyl]carbamate
CID 31862789
tert-butyl N-[1-[[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]methyl]cycloheptyl]carbamate
CID 55638839
tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate
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tert-butyl N-[1-[[(2-bromobenzoyl)amino]methyl]cycloheptyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate (CID 60545517) is tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate is CC(C)(C)OC(=O)NC1(CNC(=O)COC2CCCC2)CCCCCC1.
What is the InChIKey of tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate?
The InChIKey is SNUBZRNWMIXDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-19(2,3)26-18(24)22-20(12-8-4-5-9-13-20)15-21-17(23)14-25-16-10-6-7-11-16/h16H,4-15H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate?
tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate has a molecular weight of 368.52 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(2-cyclopentyloxyacetyl)amino]methyl]cycloheptyl]carbamate is sourced from PubChem (CID 60545517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).