methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate

C18H25ClNO3P — CID 144654245

IUPACmethane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate
SMILESC.CC(C)COC(=O)C(C)NP(Cl)Oc1cccc2ccccc12
InChIInChI=1S/C17H21ClNO3P.CH4/c1-12(2)11-21-17(20)13(3)19-23(18)22-16-10-6-8-14-7-4-5-9-15(14)16;/h4-10,12-13,19H,11H2,1-3H3;1H4
InChIKeyIJRXZXCLLNNLCN-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.50
Rot. Bonds7

About methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate

methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate (PubChem CID 144654245) has the molecular formula C18H25ClNO3P and a molecular weight of 369.83 g/mol. Its IUPAC name is methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate.

Molecular Properties

Compound Namemethane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate
PubChem CID144654245
Molecular FormulaC18H25ClNO3P
Molecular Weight369.83 g/mol
Exact Mass369.13
IUPAC Namemethane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate
SMILESC.CC(C)COC(=O)C(C)NP(Cl)Oc1cccc2ccccc12
InChIInChI=1S/C17H21ClNO3P.CH4/c1-12(2)11-21-17(20)13(3)19-23(18)22-16-10-6-8-14-7-4-5-9-15(14)16;/h4-10,12-13,19H,11H2,1-3H3;1H4
InChIKeyIJRXZXCLLNNLCN-UHFFFAOYSA-N
XLogP5.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.50
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

benzyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]acetate
CID 138719228
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
2-methylpropyl 2-[[chloro-(2-chlorophenoxy)phosphoryl]amino]propanoate
CID 123543136
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
(3S)-3-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]butan-2-one
CID 58369210
2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
CID 91722119
naphthalen-1-yl 4-(2-methylpropoxy)benzoate
CID 23011607
2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate
CID 122527458
butyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 59483399
naphthalen-1-yl 2-chloroacetate
CID 588968

Frequently Asked Questions

What is the IUPAC name of methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate?
The IUPAC name of methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate (CID 144654245) is methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate.
What is the SMILES notation for methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate?
The canonical SMILES for methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate is C.CC(C)COC(=O)C(C)NP(Cl)Oc1cccc2ccccc12.
What is the InChIKey of methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate?
The InChIKey is IJRXZXCLLNNLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClNO3P.CH4/c1-12(2)11-21-17(20)13(3)19-23(18)22-16-10-6-8-14-7-4-5-9-15(14)16;/h4-10,12-13,19H,11H2,1-3H3;1H4.
What are the key properties of methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate?
methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate has a molecular weight of 369.83 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpropyl 2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate is sourced from PubChem (CID 144654245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).