2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide

C19H34N2O7P2 — CID 54282175

IUPAC2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide
SMILESCC(C)OP(=O)(OC(C)C)C(C(=O)Nc1ccccn1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C19H34N2O7P2/c1-13(2)25-29(23,26-14(3)4)19(18(22)21-17-11-9-10-12-20-17)30(24,27-15(5)6)28-16(7)8/h9-16,19H,1-8H3,(H,20,21,22)
InChIKeyRRNUQBSZMAUFOM-UHFFFAOYSA-N
MW464.44 g/mol
LogP5.43
Rot. Bonds12

About 2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide

2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide (PubChem CID 54282175) has the molecular formula C19H34N2O7P2 and a molecular weight of 464.44 g/mol. Its IUPAC name is 2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide
PubChem CID54282175
Molecular FormulaC19H34N2O7P2
Molecular Weight464.44 g/mol
Exact Mass464.18
IUPAC Name2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide
SMILESCC(C)OP(=O)(OC(C)C)C(C(=O)Nc1ccccn1)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C19H34N2O7P2/c1-13(2)25-29(23,26-14(3)4)19(18(22)21-17-11-9-10-12-20-17)30(24,27-15(5)6)28-16(7)8/h9-16,19H,1-8H3,(H,20,21,22)
InChIKeyRRNUQBSZMAUFOM-UHFFFAOYSA-N
XLogP5.43
TPSA113.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
2-(diethylamino)-N-pyridin-2-ylpropanamide
CID 131880299
N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970701
N-[(2R)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970702
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 51193962
N-methyl-2-(pyridin-2-ylamino)propanamide
CID 61464552
2-(3-methylphenoxy)-N-pyridin-2-ylpropanamide
CID 78802552
(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
2-(methylaminomethyl)-N-pyridin-2-ylbutanamide
CID 115188762

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide (CID 54282175) is 2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide is CC(C)OP(=O)(OC(C)C)C(C(=O)Nc1ccccn1)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide?
The InChIKey is RRNUQBSZMAUFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O7P2/c1-13(2)25-29(23,26-14(3)4)19(18(22)21-17-11-9-10-12-20-17)30(24,27-15(5)6)28-16(7)8/h9-16,19H,1-8H3,(H,20,21,22).
What are the key properties of 2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide?
2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide has a molecular weight of 464.44 g/mol, XLogP of 5.43, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 54282175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).