tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate

C14H21ClN2O3 — CID 167472228

IUPACtert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate
SMILESCc1c(OCC(C)NC(=O)OC(C)(C)C)ccnc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-9(17-13(18)20-14(3,4)5)8-19-11-6-7-16-12(15)10(11)2/h6-7,9H,8H2,1-5H3,(H,17,18)
InChIKeyDDFLCVYZPWDYSP-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.34
Rot. Bonds4

About tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate

tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate (PubChem CID 167472228) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate
PubChem CID167472228
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Nametert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate
SMILESCc1c(OCC(C)NC(=O)OC(C)(C)C)ccnc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-9(17-13(18)20-14(3,4)5)8-19-11-6-7-16-12(15)10(11)2/h6-7,9H,8H2,1-5H3,(H,17,18)
InChIKeyDDFLCVYZPWDYSP-UHFFFAOYSA-N
XLogP3.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate
CID 177040114
tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
CID 97214902
tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate
CID 175410962
tert-butyl N-[(2R)-1-[2-[formyl(methyl)amino]-4-(hydrazinecarbonyl)phenoxy]propan-2-yl]carbamate
CID 139311785
tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate
CID 131749930
tert-butyl N-[(2S)-1-[(4-chloro-5-nitro-2-pyridinyl)oxy]propan-2-yl]carbamate
CID 86731217
tert-butyl N-[(2S)-1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
CID 140853259
tert-butyl N-[(2S)-1-(1-benzylpyrazol-3-yl)oxypropan-2-yl]carbamate
CID 141339263
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate
CID 123462031

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate (CID 167472228) is tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate is Cc1c(OCC(C)NC(=O)OC(C)(C)C)ccnc1Cl.
What is the InChIKey of tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate?
The InChIKey is DDFLCVYZPWDYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-9(17-13(18)20-14(3,4)5)8-19-11-6-7-16-12(15)10(11)2/h6-7,9H,8H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate?
tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate has a molecular weight of 300.79 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate is sourced from PubChem (CID 167472228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).