N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide

C22H43N3O3 — CID 23394473

IUPACN-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide
SMILESCCCNCC(=O)NCCCCCCC(=O)NCCCCCCC(=O)CCC
InChIInChI=1S/C22H43N3O3/c1-3-13-20(26)14-9-5-7-11-17-24-21(27)15-10-6-8-12-18-25-22(28)19-23-16-4-2/h23H,3-19H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFOIXLGDLBSZVKI-UHFFFAOYSA-N
MW397.60 g/mol
LogP3.49
Rot. Bonds20

About N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide

N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide (PubChem CID 23394473) has the molecular formula C22H43N3O3 and a molecular weight of 397.60 g/mol. Its IUPAC name is N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide.

Molecular Properties

Compound NameN-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide
PubChem CID23394473
Molecular FormulaC22H43N3O3
Molecular Weight397.60 g/mol
Exact Mass397.33
IUPAC NameN-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide
SMILESCCCNCC(=O)NCCCCCCC(=O)NCCCCCCC(=O)CCC
InChIInChI=1S/C22H43N3O3/c1-3-13-20(26)14-9-5-7-11-17-24-21(27)15-10-6-8-12-18-25-22(28)19-23-16-4-2/h23H,3-19H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFOIXLGDLBSZVKI-UHFFFAOYSA-N
XLogP3.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.60
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-oxooctyl)-7-(propylamino)heptanamide
CID 59091179
N-(8-oxotridecyl)hexanamide
CID 148531467
N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
CID 24992297
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
(Z)-N-[3-[[(Z)-10-oxoheptacos-18-enyl]amino]propyl]octadec-9-enamide
CID 149363238
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-nonyltridecanamide
CID 154228217
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide?
The IUPAC name of N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide (CID 23394473) is N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide.
What is the SMILES notation for N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide?
The canonical SMILES for N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide is CCCNCC(=O)NCCCCCCC(=O)NCCCCCCC(=O)CCC.
What is the InChIKey of N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide?
The InChIKey is FOIXLGDLBSZVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O3/c1-3-13-20(26)14-9-5-7-11-17-24-21(27)15-10-6-8-12-18-25-22(28)19-23-16-4-2/h23H,3-19H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide?
N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide has a molecular weight of 397.60 g/mol, XLogP of 3.49, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide is sourced from PubChem (CID 23394473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).