8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide

C18H36N2O2 — CID 178094356

IUPAC8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
SMILESCC(C)NCCCCCNC(=O)CCCCCC(=O)C(C)C
InChIInChI=1S/C18H36N2O2/c1-15(2)17(21)11-7-5-8-12-18(22)20-14-10-6-9-13-19-16(3)4/h15-16,19H,5-14H2,1-4H3,(H,20,22)
InChIKeyPOIKUMYVAUOOLE-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.45
Rot. Bonds14

About 8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide

8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide (PubChem CID 178094356) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide.

Molecular Properties

Compound Name8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
PubChem CID178094356
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
SMILESCC(C)NCCCCCNC(=O)CCCCCC(=O)C(C)C
InChIInChI=1S/C18H36N2O2/c1-15(2)17(21)11-7-5-8-12-18(22)20-14-10-6-9-13-19-16(3)4/h15-16,19H,5-14H2,1-4H3,(H,20,22)
InChIKeyPOIKUMYVAUOOLE-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989
S-methyl 6-[(7-methyl-6-oxooctanoyl)amino]hexanethioate
CID 137425861
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide?
The IUPAC name of 8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide (CID 178094356) is 8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide.
What is the SMILES notation for 8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide?
The canonical SMILES for 8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide is CC(C)NCCCCCNC(=O)CCCCCC(=O)C(C)C.
What is the InChIKey of 8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide?
The InChIKey is POIKUMYVAUOOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-15(2)17(21)11-7-5-8-12-18(22)20-14-10-6-9-13-19-16(3)4/h15-16,19H,5-14H2,1-4H3,(H,20,22).
What are the key properties of 8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide?
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide has a molecular weight of 312.50 g/mol, XLogP of 3.45, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide is sourced from PubChem (CID 178094356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).