phosphoric acid;propanamide

C9H24N3O7P — CID 175475634

IUPACphosphoric acid;propanamide
SMILESCCC(N)=O.CCC(N)=O.CCC(N)=O.O=P(O)(O)O
InChIInChI=1S/3C3H7NO.H3O4P/c3*1-2-3(4)5;1-5(2,3)4/h3*2H2,1H3,(H2,4,5);(H3,1,2,3,4)
InChIKeyIUXLNXVLGRZVRD-UHFFFAOYSA-N
MW317.28 g/mol
LogP-1.28
Rot. Bonds3

About phosphoric acid;propanamide

phosphoric acid;propanamide (PubChem CID 175475634) has the molecular formula C9H24N3O7P and a molecular weight of 317.28 g/mol. Its IUPAC name is phosphoric acid;propanamide.

Molecular Properties

Compound Namephosphoric acid;propanamide
PubChem CID175475634
Molecular FormulaC9H24N3O7P
Molecular Weight317.28 g/mol
Exact Mass317.14
IUPAC Namephosphoric acid;propanamide
SMILESCCC(N)=O.CCC(N)=O.CCC(N)=O.O=P(O)(O)O
InChIInChI=1S/3C3H7NO.H3O4P/c3*1-2-3(4)5;1-5(2,3)4/h3*2H2,1H3,(H2,4,5);(H3,1,2,3,4)
InChIKeyIUXLNXVLGRZVRD-UHFFFAOYSA-N
XLogP-1.28
TPSA207.03 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.28
LogP ≤ 5-1.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 160666730
guanidine;propanamide
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propanamide;hydrate;hydrochloride
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CID 143816223
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propanamide;propan-1-amine
CID 118437692
propanamide;bis(propan-1-amine)
CID 158390031
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CID 158251379
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N-ethylethanamine;propanamide
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propanamide;propanedioic acid
CID 174420039
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CID 161371403

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;propanamide?
The IUPAC name of phosphoric acid;propanamide (CID 175475634) is phosphoric acid;propanamide.
What is the SMILES notation for phosphoric acid;propanamide?
The canonical SMILES for phosphoric acid;propanamide is CCC(N)=O.CCC(N)=O.CCC(N)=O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;propanamide?
The InChIKey is IUXLNXVLGRZVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7NO.H3O4P/c3*1-2-3(4)5;1-5(2,3)4/h3*2H2,1H3,(H2,4,5);(H3,1,2,3,4).
What are the key properties of phosphoric acid;propanamide?
phosphoric acid;propanamide has a molecular weight of 317.28 g/mol, XLogP of -1.28, 3 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;propanamide is sourced from PubChem (CID 175475634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).