2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide

C20H26NOP — CID 15769527

IUPAC2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CP(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H26NOP/c1-5-21(6-2)20(22)15-23(18-11-7-16(3)8-12-18)19-13-9-17(4)10-14-19/h7-14H,5-6,15H2,1-4H3
InChIKeyWMDTWUBPINGCTN-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.60
Rot. Bonds6

About 2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide

2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide (PubChem CID 15769527) has the molecular formula C20H26NOP and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide
PubChem CID15769527
Molecular FormulaC20H26NOP
Molecular Weight327.41 g/mol
Exact Mass327.18
IUPAC Name2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CP(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H26NOP/c1-5-21(6-2)20(22)15-23(18-11-7-16(3)8-12-18)19-13-9-17(4)10-14-19/h7-14H,5-6,15H2,1-4H3
InChIKeyWMDTWUBPINGCTN-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.60
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

Lansiumamide B
CID 11357517
N,N-Diethylcinnamamide
CID 817779
Acetamide, N,N-bis(phenylmethyl)-
CID 82657
Lansamide I
CID 11242495
N-methyl-N-phenylethylcinnamamide
CID 131752476
N-(3,3-Diphenylprop-2-en-1-yl)acetamide
CID 16094582
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N-Acetylnortriptyline
CID 615972
N-methyl-N-styrylcinnamamide
CID 72765993
N-methyl-N-phenethyl-cinnamamide
CID 85427861
beta-Benzalbutyrate diethylamide
CID 6441882

Frequently Asked Questions

What is the IUPAC name of 2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide?
The IUPAC name of 2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide (CID 15769527) is 2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide?
The canonical SMILES for 2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide is CCN(CC)C(=O)CP(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide?
The InChIKey is WMDTWUBPINGCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NOP/c1-5-21(6-2)20(22)15-23(18-11-7-16(3)8-12-18)19-13-9-17(4)10-14-19/h7-14H,5-6,15H2,1-4H3.
What are the key properties of 2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide?
2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide has a molecular weight of 327.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(4-methylphenyl)phosphanyl-N,N-diethylacetamide is sourced from PubChem (CID 15769527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).