undec-10-enyl 2-(furan-2-carbonylamino)propanoate

C19H29NO4 — CID 6423003

IUPACundec-10-enyl 2-(furan-2-carbonylamino)propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C19H29NO4/c1-3-4-5-6-7-8-9-10-11-14-24-19(22)16(2)20-18(21)17-13-12-15-23-17/h3,12-13,15-16H,1,4-11,14H2,2H3,(H,20,21)
InChIKeyUYLBVCQGXDUGPP-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.25
Rot. Bonds13

About undec-10-enyl 2-(furan-2-carbonylamino)propanoate

undec-10-enyl 2-(furan-2-carbonylamino)propanoate (PubChem CID 6423003) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is undec-10-enyl 2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Nameundec-10-enyl 2-(furan-2-carbonylamino)propanoate
PubChem CID6423003
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nameundec-10-enyl 2-(furan-2-carbonylamino)propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C19H29NO4/c1-3-4-5-6-7-8-9-10-11-14-24-19(22)16(2)20-18(21)17-13-12-15-23-17/h3,12-13,15-16H,1,4-11,14H2,2H3,(H,20,21)
InChIKeyUYLBVCQGXDUGPP-UHFFFAOYSA-N
XLogP4.25
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
heptyl 2-(furan-2-carbonylamino)-4-methylpentanoate
CID 91727365
undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate
CID 6423188
undec-10-enyl (2S)-2-(2-methylpropoxycarbonylamino)propanoate
CID 20837026
undec-10-enyl 2-(butoxycarbonylamino)propanoate
CID 6423167
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
dec-9-enyl N-(1-phenylethyl)carbamate
CID 596192
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
CID 42936087
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 2427745

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl 2-(furan-2-carbonylamino)propanoate?
The IUPAC name of undec-10-enyl 2-(furan-2-carbonylamino)propanoate (CID 6423003) is undec-10-enyl 2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for undec-10-enyl 2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for undec-10-enyl 2-(furan-2-carbonylamino)propanoate is C=CCCCCCCCCCOC(=O)C(C)NC(=O)c1ccco1.
What is the InChIKey of undec-10-enyl 2-(furan-2-carbonylamino)propanoate?
The InChIKey is UYLBVCQGXDUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-3-4-5-6-7-8-9-10-11-14-24-19(22)16(2)20-18(21)17-13-12-15-23-17/h3,12-13,15-16H,1,4-11,14H2,2H3,(H,20,21).
What are the key properties of undec-10-enyl 2-(furan-2-carbonylamino)propanoate?
undec-10-enyl 2-(furan-2-carbonylamino)propanoate has a molecular weight of 335.44 g/mol, XLogP of 4.25, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 6423003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).