ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride

C16H25ClN2O6 — CID 19862601

IUPACethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride
SMILESCCOCCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C.Cl
InChIInChI=1S/C16H24N2O6.ClH/c1-4-22-10-6-8-18-9-7-13(19)15(12(18)3)24-16(21)17-11-14(20)23-5-2;/h7,9H,4-6,8,10-11H2,1-3H3,(H,17,21);1H
InChIKeyKFLZKNFMXZJKDZ-UHFFFAOYSA-N
MW376.84 g/mol
LogP1.66
Rot. Bonds9

About ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride

ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride (PubChem CID 19862601) has the molecular formula C16H25ClN2O6 and a molecular weight of 376.84 g/mol. Its IUPAC name is ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride
PubChem CID19862601
Molecular FormulaC16H25ClN2O6
Molecular Weight376.84 g/mol
Exact Mass376.14
IUPAC Nameethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride
SMILESCCOCCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C.Cl
InChIInChI=1S/C16H24N2O6.ClH/c1-4-22-10-6-8-18-9-7-13(19)15(12(18)3)24-16(21)17-11-14(20)23-5-2;/h7,9H,4-6,8,10-11H2,1-3H3,(H,17,21);1H
InChIKeyKFLZKNFMXZJKDZ-UHFFFAOYSA-N
XLogP1.66
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate
CID 19862585
3-(ethoxycarbonylmethylaminocarbonyloxy)-1-(3-ethoxypropyl)-2-methyl-4(1H)-pyridinone
CID 19862586
3-(ethoxycarbonylmethylaminocarbonyloxy)-1,2-dimethyl-4(1H)-pyridinone
CID 19862590
Ethyl 2-[(1-ethyl-2-methyl-4-oxo-3-pyridinyl)oxycarbonylamino]acetate
CID 19862595
Ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
CID 19862596
Ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
CID 19862597
Ethyl 2-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate
CID 19862599
3-(ethoxycarbonylmethylaminocarbonyloxy)-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinone
CID 19862602
3-(ethoxycarbonylmethylaminocarbonyloxy)-2-ethyl-1-methyl-4(1H)-pyridinone
CID 19862606
Ethyl 2-[(2-methyl-4-oxo-1-propyl-3-pyridinyl)oxycarbonylamino]acetate
CID 19862607
[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl] N,N-diethylcarbamate
CID 19862608
methyl N-{[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetyl}glycinate
CID 127255150

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride (CID 19862601) is ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride is CCOCCCn1ccc(=O)c(OC(=O)NCC(=O)OCC)c1C.Cl.
What is the InChIKey of ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride?
The InChIKey is KFLZKNFMXZJKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6.ClH/c1-4-22-10-6-8-18-9-7-13(19)15(12(18)3)24-16(21)17-11-14(20)23-5-2;/h7,9H,4-6,8,10-11H2,1-3H3,(H,17,21);1H.
What are the key properties of ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride?
ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride has a molecular weight of 376.84 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(3-ethoxypropyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]acetate;hydrochloride is sourced from PubChem (CID 19862601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).