ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate

C14H22N2O3 — CID 114937457

IUPACethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
SMILESCCOC(=O)C(NC(C)CC)c1ccc(OC)nc1
InChIInChI=1S/C14H22N2O3/c1-5-10(3)16-13(14(17)19-6-2)11-7-8-12(18-4)15-9-11/h7-10,13,16H,5-6H2,1-4H3
InChIKeyYDUJNMNIOFFHBN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.08
Rot. Bonds7

About ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate

ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate (PubChem CID 114937457) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
PubChem CID114937457
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
SMILESCCOC(=O)C(NC(C)CC)c1ccc(OC)nc1
InChIInChI=1S/C14H22N2O3/c1-5-10(3)16-13(14(17)19-6-2)11-7-8-12(18-4)15-9-11/h7-10,13,16H,5-6H2,1-4H3
InChIKeyYDUJNMNIOFFHBN-UHFFFAOYSA-N
XLogP2.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61023762
N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937202
ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate
CID 54908339
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
ethyl 2-(butan-2-ylamino)-2-(3,4-dibromophenyl)acetate
CID 114077402
ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
CID 118104999
N-butan-2-yl-2-[(6-methoxy-3-pyridinyl)amino]acetamide
CID 43199045
3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide
CID 114938790
methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
ethyl 2-(methylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822502

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate (CID 114937457) is ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate is CCOC(=O)C(NC(C)CC)c1ccc(OC)nc1.
What is the InChIKey of ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate?
The InChIKey is YDUJNMNIOFFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-10(3)16-13(14(17)19-6-2)11-7-8-12(18-4)15-9-11/h7-10,13,16H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate?
ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate has a molecular weight of 266.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate is sourced from PubChem (CID 114937457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).