tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate

C14H24N2O3 — CID 70318963

IUPACtert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1=CCC(C)(C(N)=O)CC1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-10-5-7-14(4,8-6-10)11(15)17/h5H,6-9H2,1-4H3,(H2,15,17)(H,16,18)
InChIKeyPISYOJMBONDSFQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.11
Rot. Bonds3

About tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate

tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate (PubChem CID 70318963) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate
PubChem CID70318963
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1=CCC(C)(C(N)=O)CC1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-10-5-7-14(4,8-6-10)11(15)17/h5H,6-9H2,1-4H3,(H2,15,17)(H,16,18)
InChIKeyPISYOJMBONDSFQ-UHFFFAOYSA-N
XLogP2.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[4-methyl-4-(methylcarbamoyl)cyclohexen-1-yl]methyl]carbamate
CID 70852257
tert-butyl N-[(4-cyano-4-methylcyclohexen-1-yl)methyl]carbamate
CID 70947833
tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate
CID 67390801
tert-butyl N-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]carbamate
CID 56636050
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
tert-butyl N-[[(1S,5R)-4-oxo-1-bicyclo[3.2.0]heptanyl]methyl]carbamate
CID 154814445
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[[4-[(2S)-2-amino-3-[(2R)-2-methyloxiran-2-yl]-3-oxopropyl]phenyl]methyl]carbamate
CID 71562241
1-(2-aminoacetyl)cyclopropane-1-carboxamide;tert-butyl N-[2-(1-carbamoylcyclopropyl)-2-oxoethyl]carbamate;1-carbamoylcyclopropane-1-carboxylic acid;hydrochloride
CID 160747814
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
tert-butyl N-[2-[(7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidin-2-yl)amino]ethyl]carbamate
CID 103278718
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate (CID 70318963) is tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1=CCC(C)(C(N)=O)CC1.
What is the InChIKey of tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate?
The InChIKey is PISYOJMBONDSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-10-5-7-14(4,8-6-10)11(15)17/h5H,6-9H2,1-4H3,(H2,15,17)(H,16,18).
What are the key properties of tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate?
tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate has a molecular weight of 268.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-carbamoyl-4-methylcyclohexen-1-yl)methyl]carbamate is sourced from PubChem (CID 70318963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).