tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate

C14H23N3O3 — CID 115735888

IUPACtert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
SMILESCCOc1cccc(NCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-5-19-12-8-6-7-11(17-12)15-9-10-16-13(18)20-14(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyBCQPTHSUAOTFGM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.42
Rot. Bonds6

About tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate

tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate (PubChem CID 115735888) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
PubChem CID115735888
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nametert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
SMILESCCOc1cccc(NCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-5-19-12-8-6-7-11(17-12)15-9-10-16-13(18)20-14(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyBCQPTHSUAOTFGM-UHFFFAOYSA-N
XLogP2.42
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
tert-butyl N-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]carbamate
CID 90434725
tert-butyl N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]carbamate
CID 114518116
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
6-ethoxy-N-hex-5-ynylpyridin-2-amine
CID 106214456
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83112211
3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 114093691

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate (CID 115735888) is tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate is CCOc1cccc(NCCNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate?
The InChIKey is BCQPTHSUAOTFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-19-12-8-6-7-11(17-12)15-9-10-16-13(18)20-14(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate is sourced from PubChem (CID 115735888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).