N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide

C18H30NO4P — CID 5162766

IUPACN-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide
SMILESCCCOP(=O)(OCCC)C(NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30NO4P/c1-6-13-22-24(21,23-14-7-2)16(15-11-9-8-10-12-15)19-17(20)18(3,4)5/h8-12,16H,6-7,13-14H2,1-5H3,(H,19,20)
InChIKeyCYBSTPMKQQBWII-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.89
Rot. Bonds9

About N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide

N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide (PubChem CID 5162766) has the molecular formula C18H30NO4P and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide
PubChem CID5162766
Molecular FormulaC18H30NO4P
Molecular Weight355.42 g/mol
Exact Mass355.19
IUPAC NameN-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide
SMILESCCCOP(=O)(OCCC)C(NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30NO4P/c1-6-13-22-24(21,23-14-7-2)16(15-11-9-8-10-12-15)19-17(20)18(3,4)5/h8-12,16H,6-7,13-14H2,1-5H3,(H,19,20)
InChIKeyCYBSTPMKQQBWII-UHFFFAOYSA-N
XLogP4.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[dipropoxyphosphoryl(phenyl)methyl]aniline
CID 23413513
N-[dipropoxyphosphoryl(phenyl)methyl]-3-fluorobenzamide
CID 24787414
2-chloro-N-[diethoxyphosphoryl(phenyl)methyl]propanamide
CID 15495992
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
CID 2324721
2-(2,4-dichlorophenoxy)-N-[dipropoxyphosphoryl(phenyl)methyl]acetamide
CID 3663558
N-[(R)-dibutoxyphosphoryl(phenyl)methyl]aniline
CID 7370793
N-[dipentoxyphosphoryl(phenyl)methyl]aniline
CID 100986575
1-[(R)-diethoxyphosphoryl(phenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 2319972
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
1-diethoxyphosphoryl-N-diphenoxyphosphoryl-1-phenylmethanamine
CID 23415563
2-chloro-N-[diethoxyphosphoryl(phenyl)methyl]benzenesulfonamide
CID 3701055

Frequently Asked Questions

What is the IUPAC name of N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide (CID 5162766) is N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide is CCCOP(=O)(OCCC)C(NC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is CYBSTPMKQQBWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NO4P/c1-6-13-22-24(21,23-14-7-2)16(15-11-9-8-10-12-15)19-17(20)18(3,4)5/h8-12,16H,6-7,13-14H2,1-5H3,(H,19,20).
What are the key properties of N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide?
N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 355.42 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dipropoxyphosphoryl(phenyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 5162766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).