4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate

C14H27NO5 — CID 91723542

IUPAC4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
SMILESCCN(CC(=O)OCCCC(C)C)C(=O)OCCOC
InChIInChI=1S/C14H27NO5/c1-5-15(14(17)20-10-9-18-4)11-13(16)19-8-6-7-12(2)3/h12H,5-11H2,1-4H3
InChIKeySNXXRZUAMWCICU-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.07
Rot. Bonds10

About 4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate

4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate (PubChem CID 91723542) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is 4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate.

Molecular Properties

Compound Name4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
PubChem CID91723542
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
SMILESCCN(CC(=O)OCCCC(C)C)C(=O)OCCOC
InChIInChI=1S/C14H27NO5/c1-5-15(14(17)20-10-9-18-4)11-13(16)19-8-6-7-12(2)3/h12H,5-11H2,1-4H3
InChIKeySNXXRZUAMWCICU-UHFFFAOYSA-N
XLogP2.07
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723541
octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723550
octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate
CID 91723566
undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate
CID 91722849
heptadecyl 2-[butoxycarbonyl(ethyl)amino]acetate
CID 91723067
dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate
CID 91718812
butyl 2-[ethoxycarbonyl(ethyl)amino]acetate
CID 91714262
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
3-methylbutyl 2-[ethyl(prop-2-enoyl)amino]acetate
CID 134486244
4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
CID 91713125
bis(4-methylpentyl) heptadecanedioate
CID 87117081
1-O-methyl 6-O-(4-methylpentyl) hexanedioate
CID 91718008

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
The IUPAC name of 4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate (CID 91723542) is 4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate.
What is the SMILES notation for 4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
The canonical SMILES for 4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate is CCN(CC(=O)OCCCC(C)C)C(=O)OCCOC.
What is the InChIKey of 4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
The InChIKey is SNXXRZUAMWCICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-5-15(14(17)20-10-9-18-4)11-13(16)19-8-6-7-12(2)3/h12H,5-11H2,1-4H3.
What are the key properties of 4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate has a molecular weight of 289.37 g/mol, XLogP of 2.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate is sourced from PubChem (CID 91723542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).