decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate

C20H39NO5 — CID 91730274

IUPACdecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
SMILESCCCCCCCCCCOC(=O)C(NC(=O)OCCOC)C(C)(C)C
InChIInChI=1S/C20H39NO5/c1-6-7-8-9-10-11-12-13-14-25-18(22)17(20(2,3)4)21-19(23)26-16-15-24-5/h17H,6-16H2,1-5H3,(H,21,23)
InChIKeyBSDBUASEOQGANL-UHFFFAOYSA-N
MW373.53 g/mol
LogP4.46
Rot. Bonds14

About decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate

decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate (PubChem CID 91730274) has the molecular formula C20H39NO5 and a molecular weight of 373.53 g/mol. Its IUPAC name is decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate.

Molecular Properties

Compound Namedecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
PubChem CID91730274
Molecular FormulaC20H39NO5
Molecular Weight373.53 g/mol
Exact Mass373.28
IUPAC Namedecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
SMILESCCCCCCCCCCOC(=O)C(NC(=O)OCCOC)C(C)(C)C
InChIInChI=1S/C20H39NO5/c1-6-7-8-9-10-11-12-13-14-25-18(22)17(20(2,3)4)21-19(23)26-16-15-24-5/h17H,6-16H2,1-5H3,(H,21,23)
InChIKeyBSDBUASEOQGANL-UHFFFAOYSA-N
XLogP4.46
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91730277
butyl 2-(ethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91713763
propyl 3,3-dimethyl-2-(propoxycarbonylamino)butanoate
CID 91702788
hexadecyl 2-(2-methoxyethoxycarbonylamino)pentanoate
CID 91726559
heptyl 2-(2-methoxyethoxycarbonylamino)pentanoate
CID 91726565
dodecyl 2-(2-methoxyethoxycarbonylamino)-3-methylpentanoate
CID 91730145
2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 145466025
heptadecyl 2-(2-methoxyethoxycarbonylamino)pent-4-enoate
CID 91725950
pentadecyl 2-(2-methoxyethoxycarbonylamino)pent-4-enoate
CID 91725948
dioctadecyl 2-(2-methoxyethoxycarbonylamino)pentanedioate
CID 87103755
hexyl (2S)-2-(butoxycarbonylamino)-3-methylbutanoate
CID 20837340
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023

Frequently Asked Questions

What is the IUPAC name of decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate?
The IUPAC name of decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate (CID 91730274) is decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate.
What is the SMILES notation for decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate?
The canonical SMILES for decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate is CCCCCCCCCCOC(=O)C(NC(=O)OCCOC)C(C)(C)C.
What is the InChIKey of decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate?
The InChIKey is BSDBUASEOQGANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO5/c1-6-7-8-9-10-11-12-13-14-25-18(22)17(20(2,3)4)21-19(23)26-16-15-24-5/h17H,6-16H2,1-5H3,(H,21,23).
What are the key properties of decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate?
decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate has a molecular weight of 373.53 g/mol, XLogP of 4.46, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate is sourced from PubChem (CID 91730274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).