2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate

C18H26N2O6 — CID 19886461

IUPAC2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate
SMILESCC(=O)N(Cc1ccccn1)C(=O)OCCOCCOC(=O)C(C)(C)C
InChIInChI=1S/C18H26N2O6/c1-14(21)20(13-15-7-5-6-8-19-15)17(23)26-12-10-24-9-11-25-16(22)18(2,3)4/h5-8H,9-13H2,1-4H3
InChIKeySKLWCBHFAHRKHV-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.17
Rot. Bonds8

About 2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate

2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate (PubChem CID 19886461) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate
PubChem CID19886461
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate
SMILESCC(=O)N(Cc1ccccn1)C(=O)OCCOCCOC(=O)C(C)(C)C
InChIInChI=1S/C18H26N2O6/c1-14(21)20(13-15-7-5-6-8-19-15)17(23)26-12-10-24-9-11-25-16(22)18(2,3)4/h5-8H,9-13H2,1-4H3
InChIKeySKLWCBHFAHRKHV-UHFFFAOYSA-N
XLogP2.17
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(pentadecylcarbamoyloxy)ethoxy]ethyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
CID 19886489
[(2R,4R)-4-(hexadecoxymethyl)thietan-2-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
CID 70341830
[(2R,4S)-4-(hexadecoxymethyl)oxetan-2-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
CID 70341365
N-(1-oxo-3-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 57202420
2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
CID 79628320
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
[(3R,5S)-5-ethoxyoxolan-3-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
CID 70364492
N-(3-oxo-1-phenylprop-1-en-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 54378282
3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 66453800
[(2R,4S)-4-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate
CID 70341859
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654

Frequently Asked Questions

What is the IUPAC name of 2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate (CID 19886461) is 2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate is CC(=O)N(Cc1ccccn1)C(=O)OCCOCCOC(=O)C(C)(C)C.
What is the InChIKey of 2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate?
The InChIKey is SKLWCBHFAHRKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-14(21)20(13-15-7-5-6-8-19-15)17(23)26-12-10-24-9-11-25-16(22)18(2,3)4/h5-8H,9-13H2,1-4H3.
What are the key properties of 2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate?
2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate has a molecular weight of 366.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[acetyl(pyridin-2-ylmethyl)carbamoyl]oxyethoxy]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 19886461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).