N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide

C34H54NOP — CID 67934360

IUPACN-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)CC(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H54NOP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-35(2)33(36)30-34(37,31-25-20-18-21-26-31)32-27-22-19-23-28-32/h18-23,25-28H,3-17,24,29-30,37H2,1-2H3
InChIKeyGGMZELHOPZRGHL-UHFFFAOYSA-N
MW523.79 g/mol
LogP9.92
Rot. Bonds21

About N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide

N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide (PubChem CID 67934360) has the molecular formula C34H54NOP and a molecular weight of 523.79 g/mol. Its IUPAC name is N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide
PubChem CID67934360
Molecular FormulaC34H54NOP
Molecular Weight523.79 g/mol
Exact Mass523.39
IUPAC NameN-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)CC(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H54NOP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-35(2)33(36)30-34(37,31-25-20-18-21-26-31)32-27-22-19-23-28-32/h18-23,25-28H,3-17,24,29-30,37H2,1-2H3
InChIKeyGGMZELHOPZRGHL-UHFFFAOYSA-N
XLogP9.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.79
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[[carboxy(tetratriacontyl)amino]-diphenylmethyl]-tetratriacontylcarbamic acid
CID 87081562
N-[3-[methyl(octyl)amino]-3-oxopropyl]benzamide
CID 54175456
benzoic acid;bis(N,N-dimethyldodecan-1-amine);hydrochloride
CID 175115715
CID 173332127
CID 173332127
N,N-dioctyl-4,4,4-triphenylbut-2-enamide
CID 67077012
N,N-dimethylhexan-1-amine;1,2-diphenylethane-1,2-dione
CID 69012000
benzoic acid;N,N-dioctyloctan-1-amine
CID 68632101
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
hexadecyl(methyl)carbamic acid
CID 15173799
2-methyl-4-[methyl(pentyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43437642

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide?
The IUPAC name of N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide (CID 67934360) is N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide.
What is the SMILES notation for N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide?
The canonical SMILES for N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide is CCCCCCCCCCCCCCCCCCN(C)C(=O)CC(P)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide?
The InChIKey is GGMZELHOPZRGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54NOP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-35(2)33(36)30-34(37,31-25-20-18-21-26-31)32-27-22-19-23-28-32/h18-23,25-28H,3-17,24,29-30,37H2,1-2H3.
What are the key properties of N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide?
N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide has a molecular weight of 523.79 g/mol, XLogP of 9.92, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octadecyl-3,3-diphenyl-3-phosphanylpropanamide is sourced from PubChem (CID 67934360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).