N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide

C28H52N2O3 — CID 151761639

IUPACN-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCCOCCCNC(=O)CCCCCCCCC=C
InChIInChI=1S/C28H52N2O3/c1-3-5-7-9-11-13-15-17-21-27(31)29-23-19-25-33-26-20-24-30-28(32)22-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-26H2,(H,29,31)(H,30,32)
InChIKeyRQRLROUGESZMES-UHFFFAOYSA-N
MW464.74 g/mol
LogP6.63
Rot. Bonds26

About N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide

N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide (PubChem CID 151761639) has the molecular formula C28H52N2O3 and a molecular weight of 464.74 g/mol. Its IUPAC name is N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide.

Molecular Properties

Compound NameN-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
PubChem CID151761639
Molecular FormulaC28H52N2O3
Molecular Weight464.74 g/mol
Exact Mass464.40
IUPAC NameN-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCCOCCCNC(=O)CCCCCCCCC=C
InChIInChI=1S/C28H52N2O3/c1-3-5-7-9-11-13-15-17-21-27(31)29-23-19-25-33-26-20-24-30-28(32)22-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-26H2,(H,29,31)(H,30,32)
InChIKeyRQRLROUGESZMES-UHFFFAOYSA-N
XLogP6.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.74
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide
CID 71392102
N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide
CID 59864047
2-(undec-10-enoylamino)ethyl dihydrogen phosphate
CID 10380486
7-amino-N-(2-but-3-enoxyethyl)heptanamide
CID 114183717
6-(2-but-3-enoxyethylamino)-6-oxohexanoic acid
CID 106394786
3-(undec-10-enoylamino)propane-1-sulfonic acid
CID 101283812
20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide
CID 168992305
6-pent-4-enoxyhexanehydrazide
CID 79114952
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 166503839
7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
CID 106310658
N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pent-4-enylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]butanamide
CID 146625820

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide?
The IUPAC name of N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide (CID 151761639) is N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide.
What is the SMILES notation for N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide?
The canonical SMILES for N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide is C=CCCCCCCCCC(=O)NCCCOCCCNC(=O)CCCCCCCCC=C.
What is the InChIKey of N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide?
The InChIKey is RQRLROUGESZMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O3/c1-3-5-7-9-11-13-15-17-21-27(31)29-23-19-25-33-26-20-24-30-28(32)22-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-26H2,(H,29,31)(H,30,32).
What are the key properties of N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide?
N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide has a molecular weight of 464.74 g/mol, XLogP of 6.63, 26 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide is sourced from PubChem (CID 151761639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).