decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate

C19H37NO4 — CID 91709553

IUPACdecyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate
SMILESCCCCCCCCCCOC(=O)CCNC(=O)OCC(C)(C)C
InChIInChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-15-23-17(21)13-14-20-18(22)24-16-19(2,3)4/h5-16H2,1-4H3,(H,20,22)
InChIKeyFDGPFQCWYLFVBT-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.83
Rot. Bonds13

About decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate

decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate (PubChem CID 91709553) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate.

Molecular Properties

Compound Namedecyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate
PubChem CID91709553
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Namedecyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate
SMILESCCCCCCCCCCOC(=O)CCNC(=O)OCC(C)(C)C
InChIInChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-15-23-17(21)13-14-20-18(22)24-16-19(2,3)4/h5-16H2,1-4H3,(H,20,22)
InChIKeyFDGPFQCWYLFVBT-UHFFFAOYSA-N
XLogP4.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
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'}

Analyze decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate 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

octyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate
CID 91709747
tetradecyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716852
hexadecyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716723
octyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716837
nonyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91739008
butyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716734
octyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 59559115
10-O-(2,2-dimethylpropyl) 1-O-heptyl decanedioate
CID 91728782
5-O-(2,2-dimethylpropyl) 1-O-tetradecyl pentanedioate
CID 91706597
tetradecyl 3-(prop-2-ynoxycarbonylamino)propanoate
CID 91721442
heptyl 3-(prop-2-ynoxycarbonylamino)propanoate
CID 91693403
dodecyl 3-(octanoylamino)propanoate
CID 91714455

Frequently Asked Questions

What is the IUPAC name of decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate?
The IUPAC name of decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate (CID 91709553) is decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate.
What is the SMILES notation for decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate?
The canonical SMILES for decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate is CCCCCCCCCCOC(=O)CCNC(=O)OCC(C)(C)C.
What is the InChIKey of decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate?
The InChIKey is FDGPFQCWYLFVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-15-23-17(21)13-14-20-18(22)24-16-19(2,3)4/h5-16H2,1-4H3,(H,20,22).
What are the key properties of decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate?
decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate has a molecular weight of 343.51 g/mol, XLogP of 4.83, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 3-(2,2-dimethylpropoxycarbonylamino)propanoate is sourced from PubChem (CID 91709553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).