N,N-dimethylacetamide;triphenylphosphane

C22H24NOP — CID 88649560

IUPACN,N-dimethylacetamide;triphenylphosphane
SMILESCC(=O)N(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H9NO/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)5(2)3/h1-15H;1-3H3
InChIKeyBEPLTLAZPBOTEU-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.54
Rot. Bonds3

About N,N-dimethylacetamide;triphenylphosphane

N,N-dimethylacetamide;triphenylphosphane (PubChem CID 88649560) has the molecular formula C22H24NOP and a molecular weight of 349.41 g/mol. Its IUPAC name is N,N-dimethylacetamide;triphenylphosphane.

Molecular Properties

Compound NameN,N-dimethylacetamide;triphenylphosphane
PubChem CID88649560
Molecular FormulaC22H24NOP
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN,N-dimethylacetamide;triphenylphosphane
SMILESCC(=O)N(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H9NO/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)5(2)3/h1-15H;1-3H3
InChIKeyBEPLTLAZPBOTEU-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;triphenylphosphane?
The IUPAC name of N,N-dimethylacetamide;triphenylphosphane (CID 88649560) is N,N-dimethylacetamide;triphenylphosphane.
What is the SMILES notation for N,N-dimethylacetamide;triphenylphosphane?
The canonical SMILES for N,N-dimethylacetamide;triphenylphosphane is CC(=O)N(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-dimethylacetamide;triphenylphosphane?
The InChIKey is BEPLTLAZPBOTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C4H9NO/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(6)5(2)3/h1-15H;1-3H3.
What are the key properties of N,N-dimethylacetamide;triphenylphosphane?
N,N-dimethylacetamide;triphenylphosphane has a molecular weight of 349.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;triphenylphosphane is sourced from PubChem (CID 88649560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).