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

C24H47NO5 — CID 91730277

IUPACtetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(NC(=O)OCCOC)C(C)(C)C
InChIInChI=1S/C24H47NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(26)21(24(2,3)4)25-23(27)30-20-19-28-5/h21H,6-20H2,1-5H3,(H,25,27)
InChIKeyDUVMWESDILUZLB-UHFFFAOYSA-N
MW429.64 g/mol
LogP6.02
Rot. Bonds18

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

tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate (PubChem CID 91730277) has the molecular formula C24H47NO5 and a molecular weight of 429.64 g/mol. Its IUPAC name is tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate.

Molecular Properties

Compound Nametetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
PubChem CID91730277
Molecular FormulaC24H47NO5
Molecular Weight429.64 g/mol
Exact Mass429.35
IUPAC Nametetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(NC(=O)OCCOC)C(C)(C)C
InChIInChI=1S/C24H47NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(26)21(24(2,3)4)25-23(27)30-20-19-28-5/h21H,6-20H2,1-5H3,(H,25,27)
InChIKeyDUVMWESDILUZLB-UHFFFAOYSA-N
XLogP6.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.64
LogP ≤ 56.02
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

decyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate
CID 91730274
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
pentadecyl 2-(2-methoxyethoxycarbonylamino)pent-4-enoate
CID 91725948
heptadecyl 2-(2-methoxyethoxycarbonylamino)pent-4-enoate
CID 91725950
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 tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate?
The IUPAC name of tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate (CID 91730277) is tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate.
What is the SMILES notation for tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate?
The canonical SMILES for tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate is CCCCCCCCCCCCCCOC(=O)C(NC(=O)OCCOC)C(C)(C)C.
What is the InChIKey of tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate?
The InChIKey is DUVMWESDILUZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(26)21(24(2,3)4)25-23(27)30-20-19-28-5/h21H,6-20H2,1-5H3,(H,25,27).
What are the key properties of tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate?
tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate has a molecular weight of 429.64 g/mol, XLogP of 6.02, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-(2-methoxyethoxycarbonylamino)-3,3-dimethylbutanoate is sourced from PubChem (CID 91730277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).