N-butyl-3,3-bis(diethoxyphosphoryl)propanamide

C15H33NO7P2 — CID 19689044

IUPACN-butyl-3,3-bis(diethoxyphosphoryl)propanamide
SMILESCCCCNC(=O)CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C15H33NO7P2/c1-6-11-12-16-14(17)13-15(24(18,20-7-2)21-8-3)25(19,22-9-4)23-10-5/h15H,6-13H2,1-5H3,(H,16,17)
InChIKeyYODFDAJIZMDVCS-UHFFFAOYSA-N
MW401.38 g/mol
LogP4.15
Rot. Bonds15

About N-butyl-3,3-bis(diethoxyphosphoryl)propanamide

N-butyl-3,3-bis(diethoxyphosphoryl)propanamide (PubChem CID 19689044) has the molecular formula C15H33NO7P2 and a molecular weight of 401.38 g/mol. Its IUPAC name is N-butyl-3,3-bis(diethoxyphosphoryl)propanamide.

Molecular Properties

Compound NameN-butyl-3,3-bis(diethoxyphosphoryl)propanamide
PubChem CID19689044
Molecular FormulaC15H33NO7P2
Molecular Weight401.38 g/mol
Exact Mass401.17
IUPAC NameN-butyl-3,3-bis(diethoxyphosphoryl)propanamide
SMILESCCCCNC(=O)CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC
InChIInChI=1S/C15H33NO7P2/c1-6-11-12-16-14(17)13-15(24(18,20-7-2)21-8-3)25(19,22-9-4)23-10-5/h15H,6-13H2,1-5H3,(H,16,17)
InChIKeyYODFDAJIZMDVCS-UHFFFAOYSA-N
XLogP4.15
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3,3-dimethoxypropanamide
CID 138705714
3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
N'-butyl-2-hydroxybutanediamide
CID 88532748
N-butyl-3-(ethylamino)butanamide
CID 62838234
N-(2-diethoxyphosphorylethyl)pentanamide
CID 150373666
1-octadecoxy-4-(octadecylamino)-1,4-dioxobutane-2-sulfonic acid
CID 162507978
ethoxy-[5-(tetradecanoylamino)pentyl]phosphinic acid
CID 85470252
3-(aminomethyl)-N-butylpentanamide
CID 81071551
N-butyl-N'-pentylpropanediamide
CID 89202031
CID 158700486
CID 158700486
N-(2-diethoxyphosphorylethyl)heptanamide
CID 143289197
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-bis(diethoxyphosphoryl)propanamide?
The IUPAC name of N-butyl-3,3-bis(diethoxyphosphoryl)propanamide (CID 19689044) is N-butyl-3,3-bis(diethoxyphosphoryl)propanamide.
What is the SMILES notation for N-butyl-3,3-bis(diethoxyphosphoryl)propanamide?
The canonical SMILES for N-butyl-3,3-bis(diethoxyphosphoryl)propanamide is CCCCNC(=O)CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC.
What is the InChIKey of N-butyl-3,3-bis(diethoxyphosphoryl)propanamide?
The InChIKey is YODFDAJIZMDVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO7P2/c1-6-11-12-16-14(17)13-15(24(18,20-7-2)21-8-3)25(19,22-9-4)23-10-5/h15H,6-13H2,1-5H3,(H,16,17).
What are the key properties of N-butyl-3,3-bis(diethoxyphosphoryl)propanamide?
N-butyl-3,3-bis(diethoxyphosphoryl)propanamide has a molecular weight of 401.38 g/mol, XLogP of 4.15, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-bis(diethoxyphosphoryl)propanamide is sourced from PubChem (CID 19689044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).