tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate

C24H47NO5 — CID 91730234

IUPACtetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCOC
InChIInChI=1S/C24H47NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23(26)22(21(2)3)25(4)24(27)30-20-19-28-5/h21-22H,6-20H2,1-5H3
InChIKeyJJPPMPJDPFRXQK-UHFFFAOYSA-N
MW429.64 g/mol
LogP5.97
Rot. Bonds19

About tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate

tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate (PubChem CID 91730234) has the molecular formula C24H47NO5 and a molecular weight of 429.64 g/mol. Its IUPAC name is tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Nametetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate
PubChem CID91730234
Molecular FormulaC24H47NO5
Molecular Weight429.64 g/mol
Exact Mass429.35
IUPAC Nametetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCOC
InChIInChI=1S/C24H47NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23(26)22(21(2)3)25(4)24(27)30-20-19-28-5/h21-22H,6-20H2,1-5H3
InChIKeyJJPPMPJDPFRXQK-UHFFFAOYSA-N
XLogP5.97
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.64
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[hexoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91734822
tetradecyl 2-[butoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91729955
heptyl 3-methyl-2-[methyl(propoxycarbonyl)amino]butanoate
CID 91726060
pentyl 2-[butoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91729931
dodecyl 3-methyl-2-[methyl(2-methylpropoxycarbonyl)amino]butanoate
CID 91729943
heptyl 2-[[2-[ethoxycarbonyl(methyl)amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoate
CID 91723049
octadecyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91732937
nonyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-4-methylpentanoate
CID 91733215
hexadecyl 2-[2-ethylhexoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91737927
decyl 2-[2-ethylhexoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91737921
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate?
The IUPAC name of tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate (CID 91730234) is tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate.
What is the SMILES notation for tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate?
The canonical SMILES for tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate is CCCCCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCOC.
What is the InChIKey of tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate?
The InChIKey is JJPPMPJDPFRXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23(26)22(21(2)3)25(4)24(27)30-20-19-28-5/h21-22H,6-20H2,1-5H3.
What are the key properties of tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate?
tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate has a molecular weight of 429.64 g/mol, XLogP of 5.97, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate is sourced from PubChem (CID 91730234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).