decyl 2-(ethoxycarbonylamino)-4-methylpentanoate

C19H37NO4 — CID 6424356

IUPACdecyl 2-(ethoxycarbonylamino)-4-methylpentanoate
SMILESCCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)OCC
InChIInChI=1S/C19H37NO4/c1-5-7-8-9-10-11-12-13-14-24-18(21)17(15-16(3)4)20-19(22)23-6-2/h16-17H,5-15H2,1-4H3,(H,20,22)
InChIKeyLQUBBEVDOJVGEO-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.83
Rot. Bonds14

About decyl 2-(ethoxycarbonylamino)-4-methylpentanoate

decyl 2-(ethoxycarbonylamino)-4-methylpentanoate (PubChem CID 6424356) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is decyl 2-(ethoxycarbonylamino)-4-methylpentanoate.

Molecular Properties

Compound Namedecyl 2-(ethoxycarbonylamino)-4-methylpentanoate
PubChem CID6424356
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Namedecyl 2-(ethoxycarbonylamino)-4-methylpentanoate
SMILESCCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)OCC
InChIInChI=1S/C19H37NO4/c1-5-7-8-9-10-11-12-13-14-24-18(21)17(15-16(3)4)20-19(22)23-6-2/h16-17H,5-15H2,1-4H3,(H,20,22)
InChIKeyLQUBBEVDOJVGEO-UHFFFAOYSA-N
XLogP4.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentadecyl (2S)-4-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
CID 20837436
decyl 2-(methoxycarbonylamino)-4-methylpentanoate
CID 6423225
heptyl 2-(2-chloroethoxycarbonylamino)-4-methylpentanoate
CID 91731679
octyl (2S)-2-acetamido-4-methylpentanoate
CID 176909899
hexadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723079
tetradecyl 2-(ethoxycarbonylamino)pentanoate
CID 91718836
octadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723081
pentadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723089
butyl (2S)-4-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
CID 20837426
heptyl 2-(butoxycarbonylamino)octanoate
CID 91734808
nonyl 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 91727809
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023

Frequently Asked Questions

What is the IUPAC name of decyl 2-(ethoxycarbonylamino)-4-methylpentanoate?
The IUPAC name of decyl 2-(ethoxycarbonylamino)-4-methylpentanoate (CID 6424356) is decyl 2-(ethoxycarbonylamino)-4-methylpentanoate.
What is the SMILES notation for decyl 2-(ethoxycarbonylamino)-4-methylpentanoate?
The canonical SMILES for decyl 2-(ethoxycarbonylamino)-4-methylpentanoate is CCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)OCC.
What is the InChIKey of decyl 2-(ethoxycarbonylamino)-4-methylpentanoate?
The InChIKey is LQUBBEVDOJVGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-5-7-8-9-10-11-12-13-14-24-18(21)17(15-16(3)4)20-19(22)23-6-2/h16-17H,5-15H2,1-4H3,(H,20,22).
What are the key properties of decyl 2-(ethoxycarbonylamino)-4-methylpentanoate?
decyl 2-(ethoxycarbonylamino)-4-methylpentanoate has a molecular weight of 343.51 g/mol, XLogP of 4.83, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-(ethoxycarbonylamino)-4-methylpentanoate is sourced from PubChem (CID 6424356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).