N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide

C14H28NO4P — CID 57192565

IUPACN-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide
SMILESCC(=CC(C)N(C)C=O)CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C14H28NO4P/c1-11(2)18-20(17,19-12(3)4)9-13(5)8-14(6)15(7)10-16/h8,10-12,14H,9H2,1-7H3
InChIKeyFCQJTSWOZVTLMS-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.45
Rot. Bonds9

About N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide

N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide (PubChem CID 57192565) has the molecular formula C14H28NO4P and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide
PubChem CID57192565
Molecular FormulaC14H28NO4P
Molecular Weight305.36 g/mol
Exact Mass305.18
IUPAC NameN-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide
SMILESCC(=CC(C)N(C)C=O)CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C14H28NO4P/c1-11(2)18-20(17,19-12(3)4)9-13(5)8-14(6)15(7)10-16/h8,10-12,14H,9H2,1-7H3
InChIKeyFCQJTSWOZVTLMS-UHFFFAOYSA-N
XLogP3.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide?
The IUPAC name of N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide (CID 57192565) is N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide.
What is the SMILES notation for N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide?
The canonical SMILES for N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide is CC(=CC(C)N(C)C=O)CP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide?
The InChIKey is FCQJTSWOZVTLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO4P/c1-11(2)18-20(17,19-12(3)4)9-13(5)8-14(6)15(7)10-16/h8,10-12,14H,9H2,1-7H3.
What are the key properties of N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide?
N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide has a molecular weight of 305.36 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-di(propan-2-yloxy)phosphoryl-4-methylpent-3-en-2-yl]-N-methylformamide is sourced from PubChem (CID 57192565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).