[amino(tetradecanoyl)amino] dihydrogen phosphate

C14H31N2O5P — CID 57256058

IUPAC[amino(tetradecanoyl)amino] dihydrogen phosphate
SMILESCCCCCCCCCCCCCC(=O)N(N)OP(=O)(O)O
InChIInChI=1S/C14H31N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)16(15)21-22(18,19)20/h2-13,15H2,1H3,(H2,18,19,20)
InChIKeyZSHIWAWZCPXNKW-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.41
Rot. Bonds14

About [amino(tetradecanoyl)amino] dihydrogen phosphate

[amino(tetradecanoyl)amino] dihydrogen phosphate (PubChem CID 57256058) has the molecular formula C14H31N2O5P and a molecular weight of 338.39 g/mol. Its IUPAC name is [amino(tetradecanoyl)amino] dihydrogen phosphate.

Molecular Properties

Compound Name[amino(tetradecanoyl)amino] dihydrogen phosphate
PubChem CID57256058
Molecular FormulaC14H31N2O5P
Molecular Weight338.39 g/mol
Exact Mass338.20
IUPAC Name[amino(tetradecanoyl)amino] dihydrogen phosphate
SMILESCCCCCCCCCCCCCC(=O)N(N)OP(=O)(O)O
InChIInChI=1S/C14H31N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)16(15)21-22(18,19)20/h2-13,15H2,1H3,(H2,18,19,20)
InChIKeyZSHIWAWZCPXNKW-UHFFFAOYSA-N
XLogP3.41
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-amino-N-hydroxydocosanamide
CID 87686885
(didodecylamino) dihydrogen phosphate
CID 174994994
N-ethoxy-N-hexadecanoylhexadecanamide
CID 175352963
1-[di(octadecanoyl)amino]propan-2-yl dihydrogen phosphate
CID 146675057
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383
N,N-di(nonyl)octanamide
CID 533141
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dipropylnonadecanamide
CID 12960009
N,N-dioctyltetradecanamide
CID 169083302
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
CID 173442043

Frequently Asked Questions

What is the IUPAC name of [amino(tetradecanoyl)amino] dihydrogen phosphate?
The IUPAC name of [amino(tetradecanoyl)amino] dihydrogen phosphate (CID 57256058) is [amino(tetradecanoyl)amino] dihydrogen phosphate.
What is the SMILES notation for [amino(tetradecanoyl)amino] dihydrogen phosphate?
The canonical SMILES for [amino(tetradecanoyl)amino] dihydrogen phosphate is CCCCCCCCCCCCCC(=O)N(N)OP(=O)(O)O.
What is the InChIKey of [amino(tetradecanoyl)amino] dihydrogen phosphate?
The InChIKey is ZSHIWAWZCPXNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)16(15)21-22(18,19)20/h2-13,15H2,1H3,(H2,18,19,20).
What are the key properties of [amino(tetradecanoyl)amino] dihydrogen phosphate?
[amino(tetradecanoyl)amino] dihydrogen phosphate has a molecular weight of 338.39 g/mol, XLogP of 3.41, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(tetradecanoyl)amino] dihydrogen phosphate is sourced from PubChem (CID 57256058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).