N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide

C8H16NO3P — CID 14658582

IUPACN-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide
SMILESCCOP(C)(=O)/C(C)=C/NC(C)=O
InChIInChI=1S/C8H16NO3P/c1-5-12-13(4,11)7(2)6-9-8(3)10/h6H,5H2,1-4H3,(H,9,10)/b7-6+
InChIKeyCXKUTYFFDHRWPN-VOTSOKGWSA-N
MW205.19 g/mol
LogP1.93
Rot. Bonds4

About N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide

N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide (PubChem CID 14658582) has the molecular formula C8H16NO3P and a molecular weight of 205.19 g/mol. Its IUPAC name is N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide
PubChem CID14658582
Molecular FormulaC8H16NO3P
Molecular Weight205.19 g/mol
Exact Mass205.09
IUPAC NameN-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide
SMILESCCOP(C)(=O)/C(C)=C/NC(C)=O
InChIInChI=1S/C8H16NO3P/c1-5-12-13(4,11)7(2)6-9-8(3)10/h6H,5H2,1-4H3,(H,9,10)/b7-6+
InChIKeyCXKUTYFFDHRWPN-VOTSOKGWSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide?
The IUPAC name of N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide (CID 14658582) is N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide?
The canonical SMILES for N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide is CCOP(C)(=O)/C(C)=C/NC(C)=O.
What is the InChIKey of N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide?
The InChIKey is CXKUTYFFDHRWPN-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16NO3P/c1-5-12-13(4,11)7(2)6-9-8(3)10/h6H,5H2,1-4H3,(H,9,10)/b7-6+.
What are the key properties of N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide?
N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide has a molecular weight of 205.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[ethoxy(methyl)phosphoryl]prop-1-enyl]acetamide is sourced from PubChem (CID 14658582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).