N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide

C16H32N2O2 — CID 177080596

IUPACN-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide
SMILESCC(=O)NCCCC[C@@H](CNC(C)C)CC(=O)C(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)16(20)10-15(11-18-13(3)4)8-6-7-9-17-14(5)19/h12-13,15,18H,6-11H2,1-5H3,(H,17,19)/t15-/m1/s1
InChIKeyDFSJSOWXOPMFEP-OAHLLOKOSA-N
MW284.44 g/mol
LogP2.52
Rot. Bonds11

About N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide

N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide (PubChem CID 177080596) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide.

Molecular Properties

Compound NameN-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide
PubChem CID177080596
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide
SMILESCC(=O)NCCCC[C@@H](CNC(C)C)CC(=O)C(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)16(20)10-15(11-18-13(3)4)8-6-7-9-17-14(5)19/h12-13,15,18H,6-11H2,1-5H3,(H,17,19)/t15-/m1/s1
InChIKeyDFSJSOWXOPMFEP-OAHLLOKOSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.52
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

N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
CID 134583654
3-(3-acetamidopropyl)undecanoic acid
CID 21259482
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
(2R)-6-acetamido-2-(ethylamino)hexanoic acid
CID 89026555
N-(4-methyl-3-oxopentyl)acetamide
CID 20600831
N-[(4S,7R)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide
CID 148994204
N-[(4R,7S)-8-methyl-4-(2-methylpropanoyl)-6-oxo-7-(propan-2-ylamino)nonyl]acetamide
CID 148994203
N-(5-acetamidoheptyl)acetamide
CID 59001684
[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane
CID 168888423
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide
CID 153371112
N-pentadecylacetamide
CID 12009452

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide?
The IUPAC name of N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide (CID 177080596) is N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide.
What is the SMILES notation for N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide?
The canonical SMILES for N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide is CC(=O)NCCCC[C@@H](CNC(C)C)CC(=O)C(C)C.
What is the InChIKey of N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide?
The InChIKey is DFSJSOWXOPMFEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)16(20)10-15(11-18-13(3)4)8-6-7-9-17-14(5)19/h12-13,15,18H,6-11H2,1-5H3,(H,17,19)/t15-/m1/s1.
What are the key properties of N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide?
N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide has a molecular weight of 284.44 g/mol, XLogP of 2.52, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide is sourced from PubChem (CID 177080596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).