N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide

C32H60N2O4 — CID 71392102

IUPACN-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCCOCCCCOCCCNC(=O)CCCCCCCCC=C
InChIInChI=1S/C32H60N2O4/c1-3-5-7-9-11-13-15-17-23-31(35)33-25-21-29-37-27-19-20-28-38-30-22-26-34-32(36)24-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-30H2,(H,33,35)(H,34,36)
InChIKeyYVOZKEKAOKRNEI-UHFFFAOYSA-N
MW536.84 g/mol
LogP7.43
Rot. Bonds31

About N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide

N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide (PubChem CID 71392102) has the molecular formula C32H60N2O4 and a molecular weight of 536.84 g/mol. Its IUPAC name is N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide.

Molecular Properties

Compound NameN-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide
PubChem CID71392102
Molecular FormulaC32H60N2O4
Molecular Weight536.84 g/mol
Exact Mass536.46
IUPAC NameN-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCCOCCCCOCCCNC(=O)CCCCCCCCC=C
InChIInChI=1S/C32H60N2O4/c1-3-5-7-9-11-13-15-17-23-31(35)33-25-21-29-37-27-19-20-28-38-30-22-26-34-32(36)24-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-30H2,(H,33,35)(H,34,36)
InChIKeyYVOZKEKAOKRNEI-UHFFFAOYSA-N
XLogP7.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.84
LogP ≤ 57.43
H-Bond Donors ≤ 52
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

N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
CID 151761639
N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide
CID 59864047
20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide
CID 168992305
6-pent-4-enoxyhexanehydrazide
CID 79114952
2-(undec-10-enoylamino)ethyl dihydrogen phosphate
CID 10380486
7-amino-N-(2-but-3-enoxyethyl)heptanamide
CID 114183717
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
6-(2-but-3-enoxyethylamino)-6-oxohexanoic acid
CID 106394786
3-(undec-10-enoylamino)propane-1-sulfonic acid
CID 101283812
12-dodec-11-enoxydodec-1-ene
CID 87325659
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide?
The IUPAC name of N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide (CID 71392102) is N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide.
What is the SMILES notation for N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide?
The canonical SMILES for N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide is C=CCCCCCCCCC(=O)NCCCOCCCCOCCCNC(=O)CCCCCCCCC=C.
What is the InChIKey of N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide?
The InChIKey is YVOZKEKAOKRNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N2O4/c1-3-5-7-9-11-13-15-17-23-31(35)33-25-21-29-37-27-19-20-28-38-30-22-26-34-32(36)24-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-30H2,(H,33,35)(H,34,36).
What are the key properties of N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide?
N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide has a molecular weight of 536.84 g/mol, XLogP of 7.43, 31 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide is sourced from PubChem (CID 71392102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).