methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate

C14H24N2O4 — CID 19883852

IUPACmethyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate
SMILESCOC(=O)NC1(NC(=O)OC)CCCC2CCCCC21
InChIInChI=1S/C14H24N2O4/c1-19-12(17)15-14(16-13(18)20-2)9-5-7-10-6-3-4-8-11(10)14/h10-11H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyPYINHIQINPMCOZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.38
Rot. Bonds2

About methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate

methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate (PubChem CID 19883852) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate
PubChem CID19883852
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate
SMILESCOC(=O)NC1(NC(=O)OC)CCCC2CCCCC21
InChIInChI=1S/C14H24N2O4/c1-19-12(17)15-14(16-13(18)20-2)9-5-7-10-6-3-4-8-11(10)14/h10-11H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyPYINHIQINPMCOZ-UHFFFAOYSA-N
XLogP2.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate?
The IUPAC name of methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate (CID 19883852) is methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate.
What is the SMILES notation for methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate?
The canonical SMILES for methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate is COC(=O)NC1(NC(=O)OC)CCCC2CCCCC21.
What is the InChIKey of methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate?
The InChIKey is PYINHIQINPMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-19-12(17)15-14(16-13(18)20-2)9-5-7-10-6-3-4-8-11(10)14/h10-11H,3-9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate?
methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate is sourced from PubChem (CID 19883852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).