3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane

C69H139N5O3 — CID 159094692

IUPAC3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane
SMILESC.CCCCCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCCCCC)CCC1CCCC1.CCCCCCCCCCCCCCCNC(=O)CCNCCC1CCCC1
InChIInChI=1S/C43H85N3O2.C25H50N2O.CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-36-44-42(47)34-39-46(38-33-41-31-27-28-32-41)40-35-43(48)45-37-30-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-27-25(28)20-23-26-22-19-24-17-14-15-18-24;/h41H,3-40H2,1-2H3,(H,44,47)(H,45,48);24,26H,2-23H2,1H3,(H,27,28);1H4
InChIKeyKCNBYJHYZLVHCQ-UHFFFAOYSA-N
MW1086.90 g/mol
LogP19.45
Rot. Bonds57

About 3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane

3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane (PubChem CID 159094692) has the molecular formula C69H139N5O3 and a molecular weight of 1086.90 g/mol. Its IUPAC name is 3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane.

Molecular Properties

Compound Name3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane
PubChem CID159094692
Molecular FormulaC69H139N5O3
Molecular Weight1086.90 g/mol
Exact Mass1086.09
IUPAC Name3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane
SMILESC.CCCCCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCCCCC)CCC1CCCC1.CCCCCCCCCCCCCCCNC(=O)CCNCCC1CCCC1
InChIInChI=1S/C43H85N3O2.C25H50N2O.CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-36-44-42(47)34-39-46(38-33-41-31-27-28-32-41)40-35-43(48)45-37-30-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-27-25(28)20-23-26-22-19-24-17-14-15-18-24;/h41H,3-40H2,1-2H3,(H,44,47)(H,45,48);24,26H,2-23H2,1H3,(H,27,28);1H4
InChIKeyKCNBYJHYZLVHCQ-UHFFFAOYSA-N
XLogP19.45
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds57
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.90
LogP ≤ 519.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane 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

3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
3-cyclohexyl-N-undecylpropanamide
CID 5146202
N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(3-hydroxypropyl)amino]propanamide;N-dodecyl-3-(3-hydroxypropylamino)propanamide;methane
CID 159916447
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
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-[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-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide
CID 160695132
3-(2-cyclohexylethylamino)-N-ethylpropanamide
CID 62324401
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide
CID 160990447
3-[2-[bis(2-hydroxyethyl)amino]ethylamino]-N-pentadecylpropanamide;3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 161095929

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane?
The IUPAC name of 3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane (CID 159094692) is 3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane.
What is the SMILES notation for 3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane?
The canonical SMILES for 3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane is C.CCCCCCCCCCCCCCCNC(=O)CCN(CCC(=O)NCCCCCCCCCCCCCCC)CCC1CCCC1.CCCCCCCCCCCCCCCNC(=O)CCNCCC1CCCC1.
What is the InChIKey of 3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane?
The InChIKey is KCNBYJHYZLVHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H85N3O2.C25H50N2O.CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-36-44-42(47)34-39-46(38-33-41-31-27-28-32-41)40-35-43(48)45-37-30-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-27-25(28)20-23-26-22-19-24-17-14-15-18-24;/h41H,3-40H2,1-2H3,(H,44,47)(H,45,48);24,26H,2-23H2,1H3,(H,27,28);1H4.
What are the key properties of 3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane?
3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane has a molecular weight of 1086.90 g/mol, XLogP of 19.45, 57 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane is sourced from PubChem (CID 159094692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).