2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide

C14H22N3O2P — CID 138567048

IUPAC2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide
SMILESCCCCCCC(C)(N=O)C(=O)Nc1ccnc(P)c1
InChIInChI=1S/C14H22N3O2P/c1-3-4-5-6-8-14(2,17-19)13(18)16-11-7-9-15-12(20)10-11/h7,9-10H,3-6,8,20H2,1-2H3,(H,15,16,18)
InChIKeyXAUHXTQWXWMNCQ-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.02
Rot. Bonds8

About 2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide

2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide (PubChem CID 138567048) has the molecular formula C14H22N3O2P and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide.

Molecular Properties

Compound Name2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide
PubChem CID138567048
Molecular FormulaC14H22N3O2P
Molecular Weight295.32 g/mol
Exact Mass295.14
IUPAC Name2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide
SMILESCCCCCCC(C)(N=O)C(=O)Nc1ccnc(P)c1
InChIInChI=1S/C14H22N3O2P/c1-3-4-5-6-8-14(2,17-19)13(18)16-11-7-9-15-12(20)10-11/h7,9-10H,3-6,8,20H2,1-2H3,(H,15,16,18)
InChIKeyXAUHXTQWXWMNCQ-UHFFFAOYSA-N
XLogP3.02
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide
CID 71558084
N-(2-chloro-4-pyridinyl)heptanamide
CID 15790514
2,2-dibromo-N-phenylnonanamide
CID 59766487
(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
CID 124640256
2-methyl-N-phenyl-2-trimethylsilylheptanamide
CID 10334484
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 79240943
2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol
CID 162732154
2-dodecyl-2-(5-pyrimidin-4-ylpentyl)propanedioic acid
CID 139782884
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2-methylheptanamide
CID 100761338
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
methyl 2-butoxy-5-[(2-methoxy-2-methylheptanoyl)amino]benzoate
CID 133229844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide?
The IUPAC name of 2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide (CID 138567048) is 2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide.
What is the SMILES notation for 2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide?
The canonical SMILES for 2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide is CCCCCCC(C)(N=O)C(=O)Nc1ccnc(P)c1.
What is the InChIKey of 2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide?
The InChIKey is XAUHXTQWXWMNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N3O2P/c1-3-4-5-6-8-14(2,17-19)13(18)16-11-7-9-15-12(20)10-11/h7,9-10H,3-6,8,20H2,1-2H3,(H,15,16,18).
What are the key properties of 2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide?
2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide has a molecular weight of 295.32 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nitroso-N-(2-phosphanyl-4-pyridinyl)octanamide is sourced from PubChem (CID 138567048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).