N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide

C20H42NO3P — CID 71413026

IUPACN,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide
SMILESCCCCCCCCCOP(C)(=O)CC(=O)N(CCCC)CCCC
InChIInChI=1S/C20H42NO3P/c1-5-8-11-12-13-14-15-18-24-25(4,23)19-20(22)21(16-9-6-2)17-10-7-3/h5-19H2,1-4H3
InChIKeyNRSGXNFNDVIJRX-UHFFFAOYSA-N
MW375.53 g/mol
LogP6.09
Rot. Bonds17

About N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide

N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide (PubChem CID 71413026) has the molecular formula C20H42NO3P and a molecular weight of 375.53 g/mol. Its IUPAC name is N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide
PubChem CID71413026
Molecular FormulaC20H42NO3P
Molecular Weight375.53 g/mol
Exact Mass375.29
IUPAC NameN,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide
SMILESCCCCCCCCCOP(C)(=O)CC(=O)N(CCCC)CCCC
InChIInChI=1S/C20H42NO3P/c1-5-8-11-12-13-14-15-18-24-25(4,23)19-20(22)21(16-9-6-2)17-10-7-3/h5-19H2,1-4H3
InChIKeyNRSGXNFNDVIJRX-UHFFFAOYSA-N
XLogP6.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.53
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dibutoxyphosphoryl-N,N-dioctylacetamide
CID 118060028
1-[decyl(methyl)phosphoryl]oxydecane
CID 174626419
1-[methyl(octadecyl)phosphoryl]oxyoctadecane
CID 174492460
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
2-dihexoxyphosphoryl-N,N-dipropylpropanamide
CID 4983342
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide?
The IUPAC name of N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide (CID 71413026) is N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide.
What is the SMILES notation for N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide?
The canonical SMILES for N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide is CCCCCCCCCOP(C)(=O)CC(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide?
The InChIKey is NRSGXNFNDVIJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42NO3P/c1-5-8-11-12-13-14-15-18-24-25(4,23)19-20(22)21(16-9-6-2)17-10-7-3/h5-19H2,1-4H3.
What are the key properties of N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide?
N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide has a molecular weight of 375.53 g/mol, XLogP of 6.09, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide is sourced from PubChem (CID 71413026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).