2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene

C14H20N2O2 — CID 174655198

IUPAC2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.NCC(=O)Nc1ccccc1
InChIInChI=1S/C8H10N2O.C6H10O/c9-6-8(11)10-7-4-2-1-3-5-7;1-3-5-7-6-4-2/h1-5H,6,9H2,(H,10,11);3-4H,1-2,5-6H2
InChIKeyMPEOJEMRMLKQIF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds6

About 2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene

2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene (PubChem CID 174655198) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene
PubChem CID174655198
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.NCC(=O)Nc1ccccc1
InChIInChI=1S/C8H10N2O.C6H10O/c9-6-8(11)10-7-4-2-1-3-5-7;1-3-5-7-6-4-2/h1-5H,6,9H2,(H,10,11);3-4H,1-2,5-6H2
InChIKeyMPEOJEMRMLKQIF-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-3-prop-2-enoxypropanamide
CID 102196182
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
2-aminooxy-N-phenylacetamide
CID 68980997
bis(2-anilino-2-oxoethyl) (E)-but-2-enedioate
CID 9010738
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
3-fluoro-N-phenylpropanamide
CID 70366284
3-oxo-N-phenylbutanamide
CID 161275903
2-(aminomethoxy)-N-phenyl-2-prop-2-enylpent-4-enamide
CID 175191857
1,1'-biphenyl;bis(dihydroxy(oxo)phosphanium);3-prop-2-enoxyprop-1-ene
CID 173226505
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
3-formyl-N-phenylbut-3-enamide
CID 12974966

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene?
The IUPAC name of 2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene (CID 174655198) is 2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.NCC(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene?
The InChIKey is MPEOJEMRMLKQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C6H10O/c9-6-8(11)10-7-4-2-1-3-5-7;1-3-5-7-6-4-2/h1-5H,6,9H2,(H,10,11);3-4H,1-2,5-6H2.
What are the key properties of 2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene?
2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene has a molecular weight of 248.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 174655198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).