4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate

C20H38N2O6 — CID 91726640

IUPAC4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCC(NC(=O)OCCOC)C(=O)NC(CCC)C(=O)OCCCC(C)C
InChIInChI=1S/C20H38N2O6/c1-6-9-16(22-20(25)28-14-13-26-5)18(23)21-17(10-7-2)19(24)27-12-8-11-15(3)4/h15-17H,6-14H2,1-5H3,(H,21,23)(H,22,25)
InChIKeyKTGGNLWGRCGSFJ-UHFFFAOYSA-N
MW402.53 g/mol
LogP2.79
Rot. Bonds15

About 4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate

4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate (PubChem CID 91726640) has the molecular formula C20H38N2O6 and a molecular weight of 402.53 g/mol. Its IUPAC name is 4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate.

Molecular Properties

Compound Name4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate
PubChem CID91726640
Molecular FormulaC20H38N2O6
Molecular Weight402.53 g/mol
Exact Mass402.27
IUPAC Name4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCC(NC(=O)OCCOC)C(=O)NC(CCC)C(=O)OCCCC(C)C
InChIInChI=1S/C20H38N2O6/c1-6-9-16(22-20(25)28-14-13-26-5)18(23)21-17(10-7-2)19(24)27-12-8-11-15(3)4/h15-17H,6-14H2,1-5H3,(H,21,23)(H,22,25)
InChIKeyKTGGNLWGRCGSFJ-UHFFFAOYSA-N
XLogP2.79
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate 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

4-methylpentyl 2-[2-(butoxycarbonylamino)hexanoylamino]hexanoate
CID 91729869
4-methylpentyl 2-[2-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91722992
hexadecyl 2-(2-methoxyethoxycarbonylamino)pentanoate
CID 91726559
heptyl 2-(2-methoxyethoxycarbonylamino)pentanoate
CID 91726565
4-methylpentyl 2-(methoxycarbonylamino)-4-methylpentanoate
CID 6423220
hexyl 2-(2-chloroethoxycarbonylamino)pentanoate
CID 91727224
octyl 2-(2-chloroethoxycarbonylamino)pentanoate
CID 91727226
dioctadecyl 2-(2-methoxyethoxycarbonylamino)pentanedioate
CID 87103755
propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 91718605
tetradecyl 2-(ethoxycarbonylamino)pentanoate
CID 91718836
propyl 2-(2-methoxyethoxycarbonylamino)-4-methylsulfanylbutanoate
CID 91694246
heptyl 2-(butoxycarbonylamino)octanoate
CID 91734808

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate?
The IUPAC name of 4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate (CID 91726640) is 4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate.
What is the SMILES notation for 4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate?
The canonical SMILES for 4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate is CCCC(NC(=O)OCCOC)C(=O)NC(CCC)C(=O)OCCCC(C)C.
What is the InChIKey of 4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate?
The InChIKey is KTGGNLWGRCGSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O6/c1-6-9-16(22-20(25)28-14-13-26-5)18(23)21-17(10-7-2)19(24)27-12-8-11-15(3)4/h15-17H,6-14H2,1-5H3,(H,21,23)(H,22,25).
What are the key properties of 4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate?
4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate has a molecular weight of 402.53 g/mol, XLogP of 2.79, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-[2-(2-methoxyethoxycarbonylamino)pentanoylamino]pentanoate is sourced from PubChem (CID 91726640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).