2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

C18H30NO4P — CID 58701778

IUPAC2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCCOP(=O)(CC(=O)NC(C)c1ccc(CC(C)C)cc1)OCC
InChIInChI=1S/C18H30NO4P/c1-6-22-24(21,23-7-2)13-18(20)19-15(5)17-10-8-16(9-11-17)12-14(3)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,19,20)
InChIKeyRWOXQYBCCVKKJY-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.33
Rot. Bonds10

About 2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (PubChem CID 58701778) has the molecular formula C18H30NO4P and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
PubChem CID58701778
Molecular FormulaC18H30NO4P
Molecular Weight355.42 g/mol
Exact Mass355.19
IUPAC Name2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCCOP(=O)(CC(=O)NC(C)c1ccc(CC(C)C)cc1)OCC
InChIInChI=1S/C18H30NO4P/c1-6-22-24(21,23-7-2)13-18(20)19-15(5)17-10-8-16(9-11-17)12-14(3)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,19,20)
InChIKeyRWOXQYBCCVKKJY-UHFFFAOYSA-N
XLogP4.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.33
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

2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide
CID 56955836
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134
4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide
CID 86997778
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-phenoxyacetamide
CID 42902003
2-(2-hydroxyphenoxy)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 78771813
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788220
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906778
N-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9437374
2-(2-methoxyphenoxy)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 2608512
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (CID 58701778) is 2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is CCOP(=O)(CC(=O)NC(C)c1ccc(CC(C)C)cc1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The InChIKey is RWOXQYBCCVKKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NO4P/c1-6-22-24(21,23-7-2)13-18(20)19-15(5)17-10-8-16(9-11-17)12-14(3)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,19,20).
What are the key properties of 2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 58701778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).