N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide

C19H31NOP+ — CID 159859774

IUPACN-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide
SMILESCCC(C(=O)Nc1c(C)cccc1C)[P+]1(CC)CCCCC1
InChIInChI=1S/C19H30NOP/c1-5-17(22(6-2)13-8-7-9-14-22)19(21)20-18-15(3)11-10-12-16(18)4/h10-12,17H,5-9,13-14H2,1-4H3/p+1
InChIKeyNFTUIEWRSZCYHE-UHFFFAOYSA-O
MW320.44 g/mol
LogP5.24
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide

N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide (PubChem CID 159859774) has the molecular formula C19H31NOP+ and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide
PubChem CID159859774
Molecular FormulaC19H31NOP+
Molecular Weight320.44 g/mol
Exact Mass320.21
IUPAC NameN-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide
SMILESCCC(C(=O)Nc1c(C)cccc1C)[P+]1(CC)CCCCC1
InChIInChI=1S/C19H30NOP/c1-5-17(22(6-2)13-8-7-9-14-22)19(21)20-18-15(3)11-10-12-16(18)4/h10-12,17H,5-9,13-14H2,1-4H3/p+1
InChIKeyNFTUIEWRSZCYHE-UHFFFAOYSA-O
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium
CID 161486197
2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 158002068
2-(1-ethylphosphinan-1-ium-1-yl)-N-(4-isocyano-2,6-dimethylphenyl)pentanamide
CID 159774782
2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium
CID 158659202
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
CID 161387675
CID 161387675
N-(4-cyano-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)butanamide
CID 156737793
N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide
CID 67216874
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(2,6-dimethylphenyl)-2-[2-[(4-ethylphenyl)methyl]cyclononyl]butanamide
CID 155692285
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide (CID 159859774) is N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide is CCC(C(=O)Nc1c(C)cccc1C)[P+]1(CC)CCCCC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide?
The InChIKey is NFTUIEWRSZCYHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H30NOP/c1-5-17(22(6-2)13-8-7-9-14-22)19(21)20-18-15(3)11-10-12-16(18)4/h10-12,17H,5-9,13-14H2,1-4H3/p+1.
What are the key properties of N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide?
N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide has a molecular weight of 320.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide is sourced from PubChem (CID 159859774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).