N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide

C12H21NO4P2 — CID 131970660

IUPACN-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CCCCCC(OP=O)P=O
InChIInChI=1S/C12H21NO4P2/c1-3-9-13(11(14)4-2)10-7-5-6-8-12(18-15)17-19-16/h4,12H,2-3,5-10H2,1H3
InChIKeyYNVXIRCRHMEXKX-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.81
Rot. Bonds12

About N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide

N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide (PubChem CID 131970660) has the molecular formula C12H21NO4P2 and a molecular weight of 305.25 g/mol. Its IUPAC name is N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide
PubChem CID131970660
Molecular FormulaC12H21NO4P2
Molecular Weight305.25 g/mol
Exact Mass305.09
IUPAC NameN-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CCCCCC(OP=O)P=O
InChIInChI=1S/C12H21NO4P2/c1-3-9-13(11(14)4-2)10-7-5-6-8-12(18-15)17-19-16/h4,12H,2-3,5-10H2,1H3
InChIKeyYNVXIRCRHMEXKX-UHFFFAOYSA-N
XLogP3.81
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5,5-difluoropentyl)-N-propylprop-2-enamide
CID 89357676
[1-phosphono-7-[prop-2-enoyl-[2-[prop-2-enoyl(propyl)amino]ethyl]amino]heptyl]phosphonic acid
CID 134429982
N-butyl-N-(5,5-difluoropentyl)prop-2-enamide
CID 89352114
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
CID 140502794
CID 140502794
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
N,N-bis(5-hydroxypentyl)prop-2-enamide
CID 87130034
1,3-bis[prop-2-enoyl(propyl)amino]propan-2-yl dihydrogen phosphate
CID 23132169
butyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486342
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536

Frequently Asked Questions

What is the IUPAC name of N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide?
The IUPAC name of N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide (CID 131970660) is N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide.
What is the SMILES notation for N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide?
The canonical SMILES for N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide is C=CC(=O)N(CCC)CCCCCC(OP=O)P=O.
What is the InChIKey of N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide?
The InChIKey is YNVXIRCRHMEXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4P2/c1-3-9-13(11(14)4-2)10-7-5-6-8-12(18-15)17-19-16/h4,12H,2-3,5-10H2,1H3.
What are the key properties of N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide?
N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide has a molecular weight of 305.25 g/mol, XLogP of 3.81, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide is sourced from PubChem (CID 131970660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).