N,N-dibutyl-2-diphenylphosphanylacetamide

C22H30NOP — CID 15769528

IUPACN,N-dibutyl-2-diphenylphosphanylacetamide
SMILESCCCCN(CCCC)C(=O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30NOP/c1-3-5-17-23(18-6-4-2)22(24)19-25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,3-6,17-19H2,1-2H3
InChIKeyOXZOHKPLLAMTMB-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.55
Rot. Bonds10

About N,N-dibutyl-2-diphenylphosphanylacetamide

N,N-dibutyl-2-diphenylphosphanylacetamide (PubChem CID 15769528) has the molecular formula C22H30NOP and a molecular weight of 355.46 g/mol. Its IUPAC name is N,N-dibutyl-2-diphenylphosphanylacetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-diphenylphosphanylacetamide
PubChem CID15769528
Molecular FormulaC22H30NOP
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN,N-dibutyl-2-diphenylphosphanylacetamide
SMILESCCCCN(CCCC)C(=O)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30NOP/c1-3-5-17-23(18-6-4-2)22(24)19-25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,3-6,17-19H2,1-2H3
InChIKeyOXZOHKPLLAMTMB-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dibutyl-2-diphenylphosphanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
3-(Diphenylphosphino)-N,N-dimethyl-1-propanamine
CID 120481
octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide
CID 158335
Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
1-(diphenylphosphoryl)-N,N-diethylcyclobutanecarboxamide
CID 1046768
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N,N-dibutyl-1-(diphenylphosphoryl)cyclobutanecarboxamide
CID 1909338
N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
CID 2241619
N-butyl-N-[(diphenylphosphoryl)methyl]-1-butanamine
CID 2251614
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
1-(diphenylphosphoryl)-N,N-diethylcyclopropanecarboxamide
CID 698851

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-diphenylphosphanylacetamide?
The IUPAC name of N,N-dibutyl-2-diphenylphosphanylacetamide (CID 15769528) is N,N-dibutyl-2-diphenylphosphanylacetamide.
What is the SMILES notation for N,N-dibutyl-2-diphenylphosphanylacetamide?
The canonical SMILES for N,N-dibutyl-2-diphenylphosphanylacetamide is CCCCN(CCCC)C(=O)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dibutyl-2-diphenylphosphanylacetamide?
The InChIKey is OXZOHKPLLAMTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30NOP/c1-3-5-17-23(18-6-4-2)22(24)19-25(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16H,3-6,17-19H2,1-2H3.
What are the key properties of N,N-dibutyl-2-diphenylphosphanylacetamide?
N,N-dibutyl-2-diphenylphosphanylacetamide has a molecular weight of 355.46 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-diphenylphosphanylacetamide is sourced from PubChem (CID 15769528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).