propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate

C17H23ClNO5P — CID 134289881

IUPACpropan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate
SMILESC#CCC(COP(NCC(=O)OC(C)C)Oc1ccc(Cl)cc1)OC
InChIInChI=1S/C17H23ClNO5P/c1-5-6-16(21-4)12-22-25(19-11-17(20)23-13(2)3)24-15-9-7-14(18)8-10-15/h1,7-10,13,16,19H,6,11-12H2,2-4H3
InChIKeyMGUZCUWEPRBEAK-UHFFFAOYSA-N
MW387.80 g/mol
LogP3.54
Rot. Bonds11

About propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate

propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate (PubChem CID 134289881) has the molecular formula C17H23ClNO5P and a molecular weight of 387.80 g/mol. Its IUPAC name is propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate
PubChem CID134289881
Molecular FormulaC17H23ClNO5P
Molecular Weight387.80 g/mol
Exact Mass387.10
IUPAC Namepropan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate
SMILESC#CCC(COP(NCC(=O)OC(C)C)Oc1ccc(Cl)cc1)OC
InChIInChI=1S/C17H23ClNO5P/c1-5-6-16(21-4)12-22-25(19-11-17(20)23-13(2)3)24-15-9-7-14(18)8-10-15/h1,7-10,13,16,19H,6,11-12H2,2-4H3
InChIKeyMGUZCUWEPRBEAK-UHFFFAOYSA-N
XLogP3.54
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate
CID 144828748
2,2-dimethylpropyl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]acetate
CID 130254517
propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110191719
methyl 2-[[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutoxy]-(4-tert-butylphenoxy)phosphanyl]amino]acetate
CID 166913945
methyl (3R)-3-(4-chlorophenyl)butanoate
CID 11148562
propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 3853421
2,2-dimethylpropyl (2S)-2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate
CID 144803948
methyl 2-[[[4-[2-amino-6-(2-methylsulfanylhydrazinyl)purin-9-yl]-2-methoxypentoxy]-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate
CID 143327511
methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate
CID 50891344
propan-2-yl N-[1,2-bis[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 70585288
4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide
CID 115665138

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate (CID 134289881) is propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate is C#CCC(COP(NCC(=O)OC(C)C)Oc1ccc(Cl)cc1)OC.
What is the InChIKey of propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate?
The InChIKey is MGUZCUWEPRBEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClNO5P/c1-5-6-16(21-4)12-22-25(19-11-17(20)23-13(2)3)24-15-9-7-14(18)8-10-15/h1,7-10,13,16,19H,6,11-12H2,2-4H3.
What are the key properties of propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate?
propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate has a molecular weight of 387.80 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[(4-chlorophenoxy)-(2-methoxypent-4-ynoxy)phosphanyl]amino]acetate is sourced from PubChem (CID 134289881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).