2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide

C31H65N2OP — CID 166084880

IUPAC2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide
SMILESCCCCCCCCCC(C)(CCCCCCCCC)C(=O)NC(C)(C)CCC(C)(C)C(C)NP
InChIInChI=1S/C31H65N2OP/c1-9-11-13-15-17-19-21-23-31(8,24-22-20-18-16-14-12-10-2)28(34)32-30(6,7)26-25-29(4,5)27(3)33-35/h27,33H,9-26,35H2,1-8H3,(H,32,34)
InChIKeyGANUHHSUSCSCOU-UHFFFAOYSA-N
MW512.85 g/mol
LogP9.74
Rot. Bonds23

About 2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide

2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide (PubChem CID 166084880) has the molecular formula C31H65N2OP and a molecular weight of 512.85 g/mol. Its IUPAC name is 2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide.

Molecular Properties

Compound Name2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide
PubChem CID166084880
Molecular FormulaC31H65N2OP
Molecular Weight512.85 g/mol
Exact Mass512.48
IUPAC Name2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide
SMILESCCCCCCCCCC(C)(CCCCCCCCC)C(=O)NC(C)(C)CCC(C)(C)C(C)NP
InChIInChI=1S/C31H65N2OP/c1-9-11-13-15-17-19-21-23-31(8,24-22-20-18-16-14-12-10-2)28(34)32-30(6,7)26-25-29(4,5)27(3)33-35/h27,33H,9-26,35H2,1-8H3,(H,32,34)
InChIKeyGANUHHSUSCSCOU-UHFFFAOYSA-N
XLogP9.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.85
LogP ≤ 59.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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CID 134415224
2-hexyl-N-hydroxy-2-methyloctanamide
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11,15-didecyl-11,15-dimethylpentacosane-12,14-dione
CID 151089135
2-butyl-N-(2,2-dimethylpropyl)-2-methylnonanamide
CID 129033928
2-ethyl-N-hydroxy-2-methylpentadecanamide
CID 138558679
2-decyl-2-methyltetradecanoic acid
CID 611890
2-decyl-2-methylicosanoic acid
CID 174997379
2-hexyl-2-methyldecanoic acid
CID 86051716
N,2,2-trimethyloctadecanamide
CID 158817445
3,3-dimethyl-N-propan-2-ylnonan-2-amine
CID 155353208
3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide
CID 23336254
N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide
CID 166929446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide?
The IUPAC name of 2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide (CID 166084880) is 2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide.
What is the SMILES notation for 2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide?
The canonical SMILES for 2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide is CCCCCCCCCC(C)(CCCCCCCCC)C(=O)NC(C)(C)CCC(C)(C)C(C)NP.
What is the InChIKey of 2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide?
The InChIKey is GANUHHSUSCSCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H65N2OP/c1-9-11-13-15-17-19-21-23-31(8,24-22-20-18-16-14-12-10-2)28(34)32-30(6,7)26-25-29(4,5)27(3)33-35/h27,33H,9-26,35H2,1-8H3,(H,32,34).
What are the key properties of 2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide?
2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide has a molecular weight of 512.85 g/mol, XLogP of 9.74, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nonyl-N-[2,5,5-trimethyl-6-(phosphanylamino)heptan-2-yl]undecanamide is sourced from PubChem (CID 166084880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).