[3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone

C23H30NO2P — CID 123930266

IUPAC[3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(CCCN)C(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C23H30NO2P/c1-14-10-16(3)20(17(4)11-14)22(25)27(9-7-8-24)23(26)21-18(5)12-15(2)13-19(21)6/h10-13H,7-9,24H2,1-6H3
InChIKeyFUTOGZRKBJNRED-UHFFFAOYSA-N
MW383.47 g/mol
LogP5.35
Rot. Bonds7

About [3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone

[3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 123930266) has the molecular formula C23H30NO2P and a molecular weight of 383.47 g/mol. Its IUPAC name is [3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
PubChem CID123930266
Molecular FormulaC23H30NO2P
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name[3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(CCCN)C(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C23H30NO2P/c1-14-10-16(3)20(17(4)11-14)22(25)27(9-7-8-24)23(26)21-18(5)12-15(2)13-19(21)6/h10-13H,7-9,24H2,1-6H3
InChIKeyFUTOGZRKBJNRED-UHFFFAOYSA-N
XLogP5.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.47
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bis(2,4,6-trimethylbenzoyl)phosphanylhexyl acetate
CID 59218782
[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 59218785
2,2-bis[3-bis(2,4,6-trimethylbenzoyl)phosphanylpropanoyloxymethyl]butyl 3-bis(2,4,6-trimethylbenzoyl)phosphanylpropanoate
CID 90093706
[oxiran-2-ylmethyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 59218771
N-(3-aminopropyl)-N-cyclopentyl-2,4,6-trimethylbenzamide
CID 43319342
7-amino-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-one
CID 106681678
3-amino-1-(2-bromo-4,6-dimethylphenyl)propan-1-one
CID 84805177
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone
CID 84801504
[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 154266689

Frequently Asked Questions

What is the IUPAC name of [3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone (CID 123930266) is [3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(CCCN)C(=O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is FUTOGZRKBJNRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30NO2P/c1-14-10-16(3)20(17(4)11-14)22(25)27(9-7-8-24)23(26)21-18(5)12-15(2)13-19(21)6/h10-13H,7-9,24H2,1-6H3.
What are the key properties of [3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
[3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 383.47 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-aminopropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 123930266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).