tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate

C17H31N3O3 — CID 103719789

IUPACtert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)20-14-9-8-13(10-14)19-12-6-4-11(5-7-12)15(18)21/h11-14,19H,4-10H2,1-3H3,(H2,18,21)(H,20,22)
InChIKeyPNZPKFNYBJILME-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.07
Rot. Bonds4

About tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate

tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate (PubChem CID 103719789) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate
PubChem CID103719789
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Nametert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)20-14-9-8-13(10-14)19-12-6-4-11(5-7-12)15(18)21/h11-14,19H,4-10H2,1-3H3,(H2,18,21)(H,20,22)
InChIKeyPNZPKFNYBJILME-UHFFFAOYSA-N
XLogP2.07
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
tert-butyl N-[(1S,3R)-3-(methylcarbamothioyl)cyclopentyl]carbamate
CID 59028664
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
CID 79462192
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]cyclopentyl]carbamate
CID 79462888
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate (CID 103719789) is tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NC2CCC(C(N)=O)CC2)C1.
What is the InChIKey of tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate?
The InChIKey is PNZPKFNYBJILME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)20-14-9-8-13(10-14)19-12-6-4-11(5-7-12)15(18)21/h11-14,19H,4-10H2,1-3H3,(H2,18,21)(H,20,22).
What are the key properties of tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate?
tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate has a molecular weight of 325.45 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 103719789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).