N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide

C46H88N2O5 — CID 166667706

IUPACN-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide
SMILESCCCCC1CCCCCCC(CCCC)CC(=O)OCCCCCCCCCCC(NC(=O)CCN(C)C)CCCCCCCCCCOC(=O)C1
InChIInChI=1S/C46H88N2O5/c1-5-7-29-41-31-23-19-20-24-32-42(30-8-6-2)40-46(51)53-38-28-22-16-12-10-14-18-26-34-43(47-44(49)35-36-48(3)4)33-25-17-13-9-11-15-21-27-37-52-45(50)39-41/h41-43H,5-40H2,1-4H3,(H,47,49)
InChIKeyFBWUUVFWKXPLEZ-UHFFFAOYSA-N
MW749.22 g/mol
LogP12.28
Rot. Bonds10

About N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide

N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide (PubChem CID 166667706) has the molecular formula C46H88N2O5 and a molecular weight of 749.22 g/mol. Its IUPAC name is N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide
PubChem CID166667706
Molecular FormulaC46H88N2O5
Molecular Weight749.22 g/mol
Exact Mass748.67
IUPAC NameN-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide
SMILESCCCCC1CCCCCCC(CCCC)CC(=O)OCCCCCCCCCCC(NC(=O)CCN(C)C)CCCCCCCCCCOC(=O)C1
InChIInChI=1S/C46H88N2O5/c1-5-7-29-41-31-23-19-20-24-32-42(30-8-6-2)40-46(51)53-38-28-22-16-12-10-14-18-26-34-43(47-44(49)35-36-48(3)4)33-25-17-13-9-11-15-21-27-37-52-45(50)39-41/h41-43H,5-40H2,1-4H3,(H,47,49)
InChIKeyFBWUUVFWKXPLEZ-UHFFFAOYSA-N
XLogP12.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.22
LogP ≤ 512.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide with MolForge

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Related Compounds

4,11-dibutyl-25-[2-(dimethylamino)ethyl]-1,14-dioxacyclopentatriacontane-2,13-dione
CID 166667941
4,11-dibutyl-25-[2-(diethylamino)ethyl]-1,14-dioxacyclopentatriacontane-2,13-dione
CID 166667950
4,11-dibutyl-25-[3-[methyl(propan-2-yl)amino]propoxymethyl]-1,14-dioxacyclopentatriacontane-2,13-dione
CID 166667892
4-pentadecyloxepan-2-one
CID 132822140
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
3-[acetyl(butyl)amino]-N-cyclopentylpropanamide
CID 113115718
3-[butyl(2-hydroxyethyl)amino]-N-cyclohexylpropanamide
CID 62016596
N-cyclooctylbutanamide
CID 4614062
N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138370
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173

Frequently Asked Questions

What is the IUPAC name of N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide?
The IUPAC name of N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide (CID 166667706) is N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide.
What is the SMILES notation for N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide?
The canonical SMILES for N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide is CCCCC1CCCCCCC(CCCC)CC(=O)OCCCCCCCCCCC(NC(=O)CCN(C)C)CCCCCCCCCCOC(=O)C1.
What is the InChIKey of N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide?
The InChIKey is FBWUUVFWKXPLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H88N2O5/c1-5-7-29-41-31-23-19-20-24-32-42(30-8-6-2)40-46(51)53-38-28-22-16-12-10-14-18-26-34-43(47-44(49)35-36-48(3)4)33-25-17-13-9-11-15-21-27-37-52-45(50)39-41/h41-43H,5-40H2,1-4H3,(H,47,49).
What are the key properties of N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide?
N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide has a molecular weight of 749.22 g/mol, XLogP of 12.28, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,11-dibutyl-2,13-dioxo-1,14-dioxacyclopentatriacont-25-yl)-3-(dimethylamino)propanamide is sourced from PubChem (CID 166667706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).