N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide

C35H70N2O3 — CID 58566886

IUPACN-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide
SMILESCCCCCCCCCCCCCC(=O)CCN(CCCOC)CCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C35H70N2O3/c1-4-6-8-10-12-14-16-17-19-21-23-26-34(38)27-31-37(30-25-33-40-3)32-28-35(39)36-29-24-22-20-18-15-13-11-9-7-5-2/h4-33H2,1-3H3,(H,36,39)
InChIKeyDLJZBCPRZJAXRC-UHFFFAOYSA-N
MW566.96 g/mol
LogP9.41
Rot. Bonds33

About N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide

N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide (PubChem CID 58566886) has the molecular formula C35H70N2O3 and a molecular weight of 566.96 g/mol. Its IUPAC name is N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide.

Molecular Properties

Compound NameN-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide
PubChem CID58566886
Molecular FormulaC35H70N2O3
Molecular Weight566.96 g/mol
Exact Mass566.54
IUPAC NameN-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide
SMILESCCCCCCCCCCCCCC(=O)CCN(CCCOC)CCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C35H70N2O3/c1-4-6-8-10-12-14-16-17-19-21-23-26-34(38)27-31-37(30-25-33-40-3)32-28-35(39)36-29-24-22-20-18-15-13-11-9-7-5-2/h4-33H2,1-3H3,(H,36,39)
InChIKeyDLJZBCPRZJAXRC-UHFFFAOYSA-N
XLogP9.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.96
LogP ≤ 59.41
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

3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethyl-(6-oxononadecyl)amino]-N-dodecylpropanamide
CID 58498189
3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105662
3-[2-[bis(3-oxohexadecyl)amino]ethyl-propylamino]-N-dodecylpropanamide
CID 158009319
3-[2-[2-[2-[bis(3-oxohexadecyl)amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 159136104
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethylamino]ethyl-(3-oxohexadecyl)amino]-N-dodecylpropanamide
CID 158384217
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide?
The IUPAC name of N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide (CID 58566886) is N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide.
What is the SMILES notation for N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide?
The canonical SMILES for N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide is CCCCCCCCCCCCCC(=O)CCN(CCCOC)CCC(=O)NCCCCCCCCCCCC.
What is the InChIKey of N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide?
The InChIKey is DLJZBCPRZJAXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H70N2O3/c1-4-6-8-10-12-14-16-17-19-21-23-26-34(38)27-31-37(30-25-33-40-3)32-28-35(39)36-29-24-22-20-18-15-13-11-9-7-5-2/h4-33H2,1-3H3,(H,36,39).
What are the key properties of N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide?
N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide has a molecular weight of 566.96 g/mol, XLogP of 9.41, 33 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-3-[3-methoxypropyl(3-oxohexadecyl)amino]propanamide is sourced from PubChem (CID 58566886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).