N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide

C35H73N5O2 — CID 24992297

IUPACN-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
SMILESCCCCCCCCC(=O)CCCCNCCCNCCCCNCCCNCCCNC(=O)CCCCCCCC
InChIInChI=1S/C35H73N5O2/c1-3-5-7-9-11-13-22-34(41)23-15-16-25-36-28-19-29-37-26-17-18-27-38-30-20-31-39-32-21-33-40-35(42)24-14-12-10-8-6-4-2/h36-39H,3-33H2,1-2H3,(H,40,42)
InChIKeyKZOLEYRLKJVXKH-UHFFFAOYSA-N
MW596.00 g/mol
LogP6.65
Rot. Bonds36

About N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide

N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide (PubChem CID 24992297) has the molecular formula C35H73N5O2 and a molecular weight of 596.00 g/mol. Its IUPAC name is N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide.

Molecular Properties

Compound NameN-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
PubChem CID24992297
Molecular FormulaC35H73N5O2
Molecular Weight596.00 g/mol
Exact Mass595.58
IUPAC NameN-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
SMILESCCCCCCCCC(=O)CCCCNCCCNCCCCNCCCNCCCNC(=O)CCCCCCCC
InChIInChI=1S/C35H73N5O2/c1-3-5-7-9-11-13-22-34(41)23-15-16-25-36-28-19-29-37-26-17-18-27-38-30-20-31-39-32-21-33-40-35(42)24-14-12-10-8-6-4-2/h36-39H,3-33H2,1-2H3,(H,40,42)
InChIKeyKZOLEYRLKJVXKH-UHFFFAOYSA-N
XLogP6.65
TPSA94.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.00
LogP ≤ 56.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide with MolForge

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Related Compounds

N-(8-oxotridecyl)hexanamide
CID 148531467
(Z)-N-[3-[[(Z)-10-oxoheptacos-18-enyl]amino]propyl]octadec-9-enamide
CID 149363238
12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide
CID 158068509
N-(5-oxooctyl)-7-(propylamino)heptanamide
CID 59091179
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-pentylicosanamide
CID 139961886
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide?
The IUPAC name of N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide (CID 24992297) is N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide.
What is the SMILES notation for N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide?
The canonical SMILES for N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide is CCCCCCCCC(=O)CCCCNCCCNCCCCNCCCNCCCNC(=O)CCCCCCCC.
What is the InChIKey of N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide?
The InChIKey is KZOLEYRLKJVXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H73N5O2/c1-3-5-7-9-11-13-22-34(41)23-15-16-25-36-28-19-29-37-26-17-18-27-38-30-20-31-39-32-21-33-40-35(42)24-14-12-10-8-6-4-2/h36-39H,3-33H2,1-2H3,(H,40,42).
What are the key properties of N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide?
N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide has a molecular weight of 596.00 g/mol, XLogP of 6.65, 36 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide is sourced from PubChem (CID 24992297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).