4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate

C25H30NO5P — CID 122435992

IUPAC4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OCCCCNC(=O)Cc1ccc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H30NO5P/c1-19(2)31-32(28,29)30-17-9-8-16-26-24(27)18-22-15-14-20-10-6-7-13-23(20)25(22)21-11-4-3-5-12-21/h3-7,10-15,19H,8-9,16-18H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyPCJBUVYVPZLUKZ-UHFFFAOYSA-N
MW455.49 g/mol
LogP5.49
Rot. Bonds11

About 4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate

4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate (PubChem CID 122435992) has the molecular formula C25H30NO5P and a molecular weight of 455.49 g/mol. Its IUPAC name is 4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate.

Molecular Properties

Compound Name4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate
PubChem CID122435992
Molecular FormulaC25H30NO5P
Molecular Weight455.49 g/mol
Exact Mass455.19
IUPAC Name4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OCCCCNC(=O)Cc1ccc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H30NO5P/c1-19(2)31-32(28,29)30-17-9-8-16-26-24(27)18-22-15-14-20-10-6-7-13-23(20)25(22)21-11-4-3-5-12-21/h3-7,10-15,19H,8-9,16-18H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyPCJBUVYVPZLUKZ-UHFFFAOYSA-N
XLogP5.49
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.49
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[(2-isoquinolin-3-ylacetyl)amino]butyl propan-2-yl hydrogen phosphate
CID 122500442
4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl propan-2-yl phosphate;methane
CID 159690152
3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate
CID 154030021
3-methyl-1-(1-phenylnaphthalen-2-yl)pentan-2-one
CID 123805780
4-[[2-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]acetyl]amino]butyl methyl phosphate
CID 142561670
ethane;methyl 4-[[2-(2-methyl-4-phenyl-6,7-dihydroquinolin-3-yl)acetyl]amino]butyl hydrogen phosphate;molecular hydrogen
CID 144823006
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
6-[oxido(propan-2-yloxy)phosphinothioyl]oxy-1-(4-phenylisoquinolin-3-yl)hexan-2-one;1-(4-phenylquinolin-3-yl)-6-[propan-2-yloxy(sulfido)phosphoryl]oxyhexan-2-one
CID 158631979
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate
CID 90328876
2-[2-(2-methylpropanoylamino)ethoxy]ethyl propan-2-yl hydrogen phosphate
CID 176600894
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate?
The IUPAC name of 4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate (CID 122435992) is 4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate.
What is the SMILES notation for 4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate?
The canonical SMILES for 4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate is CC(C)OP(=O)(O)OCCCCNC(=O)Cc1ccc2ccccc2c1-c1ccccc1.
What is the InChIKey of 4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate?
The InChIKey is PCJBUVYVPZLUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30NO5P/c1-19(2)31-32(28,29)30-17-9-8-16-26-24(27)18-22-15-14-20-10-6-7-13-23(20)25(22)21-11-4-3-5-12-21/h3-7,10-15,19H,8-9,16-18H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate?
4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate has a molecular weight of 455.49 g/mol, XLogP of 5.49, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-phenylnaphthalen-2-yl)acetyl]amino]butyl propan-2-yl hydrogen phosphate is sourced from PubChem (CID 122435992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).