tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate

C16H31N3O3 — CID 51135947

IUPACtert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate
SMILESCCN(CCNC(=O)NCC1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31N3O3/c1-5-19(15(21)22-16(2,3)4)11-10-17-14(20)18-12-13-8-6-7-9-13/h13H,5-12H2,1-4H3,(H2,17,18,20)
InChIKeyULIZTHOOTCRJET-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.73
Rot. Bonds6

About tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate

tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate (PubChem CID 51135947) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate
PubChem CID51135947
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Nametert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate
SMILESCCN(CCNC(=O)NCC1CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31N3O3/c1-5-19(15(21)22-16(2,3)4)11-10-17-14(20)18-12-13-8-6-7-9-13/h13H,5-12H2,1-4H3,(H2,17,18,20)
InChIKeyULIZTHOOTCRJET-UHFFFAOYSA-N
XLogP2.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
CID 107246252
tert-butyl N-[2-(cyclohexylmethylamino)ethyl]-N-propylcarbamate
CID 107246090
tert-butyl N-ethyl-N-[2-(piperidin-3-ylmethylamino)ethyl]carbamate
CID 107245281
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
CID 107245484
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]-N-ethylcarbamate
CID 107245360
tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
CID 107245345
tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate
CID 107242659
tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate
CID 103698959
tert-butyl N-ethyl-N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111211620

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate (CID 51135947) is tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate is CCN(CCNC(=O)NCC1CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate?
The InChIKey is ULIZTHOOTCRJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-5-19(15(21)22-16(2,3)4)11-10-17-14(20)18-12-13-8-6-7-9-13/h13H,5-12H2,1-4H3,(H2,17,18,20).
What are the key properties of tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate?
tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate has a molecular weight of 313.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate is sourced from PubChem (CID 51135947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).