N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide

C11H22NO4P — CID 2785305

IUPACN-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H22NO4P/c1-8(2)11(13)12-7-17(14,15-9(3)4)16-10(5)6/h9-10H,1,7H2,2-6H3,(H,12,13)
InChIKeyQLHYKHADILYJTD-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.68
Rot. Bonds7

About N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide

N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide (PubChem CID 2785305) has the molecular formula C11H22NO4P and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide
PubChem CID2785305
Molecular FormulaC11H22NO4P
Molecular Weight263.27 g/mol
Exact Mass263.13
IUPAC NameN-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H22NO4P/c1-8(2)11(13)12-7-17(14,15-9(3)4)16-10(5)6/h9-10H,1,7H2,2-6H3,(H,12,13)
InChIKeyQLHYKHADILYJTD-UHFFFAOYSA-N
XLogP2.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide
CID 54049884
methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid
CID 90210674
N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87093893
hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 87755917
2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide
CID 89088591
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate
CID 87094013
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
2-methylprop-2-enoyloxymethyl(propan-2-yloxy)phosphinic acid
CID 123217375
2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 129238388
propan-2-yl (E)-4-[4-(2-methylprop-2-enoylamino)butylamino]-4-oxobut-2-enoate
CID 59532990

Frequently Asked Questions

What is the IUPAC name of N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide (CID 2785305) is N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide?
The InChIKey is QLHYKHADILYJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO4P/c1-8(2)11(13)12-7-17(14,15-9(3)4)16-10(5)6/h9-10H,1,7H2,2-6H3,(H,12,13).
What are the key properties of N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide?
N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide has a molecular weight of 263.27 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[di(propan-2-yloxy)phosphorylmethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 2785305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).