N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide

C14H29N2O3P — CID 157048781

IUPACN-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCCCCCCNC(=O)P
InChIInChI=1S/C14H29N2O3P/c1-12(2)19-11-13(17)15-9-7-5-3-4-6-8-10-16-14(18)20/h12H,3-11,20H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXAWCTYOYUXUHQH-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.45
Rot. Bonds12

About N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide

N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide (PubChem CID 157048781) has the molecular formula C14H29N2O3P and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
PubChem CID157048781
Molecular FormulaC14H29N2O3P
Molecular Weight304.37 g/mol
Exact Mass304.19
IUPAC NameN-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCCCCCCNC(=O)P
InChIInChI=1S/C14H29N2O3P/c1-12(2)19-11-13(17)15-9-7-5-3-4-6-8-10-16-14(18)20/h12H,3-11,20H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXAWCTYOYUXUHQH-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
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-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
N-(4-aminobutyl)-2-propan-2-yloxyacetamide
CID 112601737
N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
CID 166733071
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601
prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
CID 89280805
N-[2-(methylamino)ethyl]-2-propan-2-yloxyacetamide
CID 112701277
N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide
CID 170007814
N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide
CID 165106125

Frequently Asked Questions

What is the IUPAC name of N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide (CID 157048781) is N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCCCCCCCNC(=O)P.
What is the InChIKey of N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide?
The InChIKey is XAWCTYOYUXUHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2O3P/c1-12(2)19-11-13(17)15-9-7-5-3-4-6-8-10-16-14(18)20/h12H,3-11,20H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide?
N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide has a molecular weight of 304.37 g/mol, XLogP of 2.45, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 157048781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).