N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide

C41H85N3O — CID 137363672

IUPACN-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide
SMILESCCCCCCCCCCNC(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C41H85N3O/c1-5-9-13-17-21-22-26-30-34-42-41(45)40-44(37-33-29-25-20-16-12-8-4)39-38-43(35-31-27-23-18-14-10-6-2)36-32-28-24-19-15-11-7-3/h5-40H2,1-4H3,(H,42,45)
InChIKeyIKBSRESYGKTUNC-UHFFFAOYSA-N
MW636.15 g/mol
LogP12.10
Rot. Bonds38

About N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide

N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide (PubChem CID 137363672) has the molecular formula C41H85N3O and a molecular weight of 636.15 g/mol. Its IUPAC name is N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide.

Molecular Properties

Compound NameN-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide
PubChem CID137363672
Molecular FormulaC41H85N3O
Molecular Weight636.15 g/mol
Exact Mass635.67
IUPAC NameN-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide
SMILESCCCCCCCCCCNC(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC
InChIInChI=1S/C41H85N3O/c1-5-9-13-17-21-22-26-30-34-42-41(45)40-44(37-33-29-25-20-16-12-8-4)39-38-43(35-31-27-23-18-14-10-6-2)36-32-28-24-19-15-11-7-3/h5-40H2,1-4H3,(H,42,45)
InChIKeyIKBSRESYGKTUNC-UHFFFAOYSA-N
XLogP12.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds38
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.15
LogP ≤ 512.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(tridecylamino)ethyl]amino]ethyl]amino]acetic acid
CID 87241288
4-[[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]amino]butyl pentanoate
CID 137362794
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199
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-[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-[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
2-[hexyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 100944879
2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethyl-propylamino]-N-dodecylacetamide
CID 138548504
N-butyl-2-(dipropylamino)acetamide
CID 54817378
2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide
CID 118180371
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973

Frequently Asked Questions

What is the IUPAC name of N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide?
The IUPAC name of N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide (CID 137363672) is N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide.
What is the SMILES notation for N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide?
The canonical SMILES for N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide is CCCCCCCCCCNC(=O)CN(CCCCCCCCC)CCN(CCCCCCCCC)CCCCCCCCC.
What is the InChIKey of N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide?
The InChIKey is IKBSRESYGKTUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H85N3O/c1-5-9-13-17-21-22-26-30-34-42-41(45)40-44(37-33-29-25-20-16-12-8-4)39-38-43(35-31-27-23-18-14-10-6-2)36-32-28-24-19-15-11-7-3/h5-40H2,1-4H3,(H,42,45).
What are the key properties of N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide?
N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide has a molecular weight of 636.15 g/mol, XLogP of 12.10, 38 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide is sourced from PubChem (CID 137363672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).