methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate

C15H21ClN2O3 — CID 22325073

IUPACmethyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate
SMILESCOC(=O)N(C(C)(C)C)C1(COc2ccc(Cl)nc2)CC1
InChIInChI=1S/C15H21ClN2O3/c1-14(2,3)18(13(19)20-4)15(7-8-15)10-21-11-5-6-12(16)17-9-11/h5-6,9H,7-8,10H2,1-4H3
InChIKeyODKAXWAFMCHLPP-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.51
Rot. Bonds4

About methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate

methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate (PubChem CID 22325073) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate.

Molecular Properties

Compound Namemethyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate
PubChem CID22325073
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Namemethyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate
SMILESCOC(=O)N(C(C)(C)C)C1(COc2ccc(Cl)nc2)CC1
InChIInChI=1S/C15H21ClN2O3/c1-14(2,3)18(13(19)20-4)15(7-8-15)10-21-11-5-6-12(16)17-9-11/h5-6,9H,7-8,10H2,1-4H3
InChIKeyODKAXWAFMCHLPP-UHFFFAOYSA-N
XLogP3.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate?
The IUPAC name of methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate (CID 22325073) is methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate.
What is the SMILES notation for methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate?
The canonical SMILES for methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate is COC(=O)N(C(C)(C)C)C1(COc2ccc(Cl)nc2)CC1.
What is the InChIKey of methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate?
The InChIKey is ODKAXWAFMCHLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-14(2,3)18(13(19)20-4)15(7-8-15)10-21-11-5-6-12(16)17-9-11/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate?
methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate has a molecular weight of 312.80 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-tert-butyl-N-[1-[(6-chloro-3-pyridinyl)oxymethyl]cyclopropyl]carbamate is sourced from PubChem (CID 22325073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).