(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide

C14H20N2O2 — CID 113290911

IUPAC(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide
SMILESCCOCC(C)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-3-18-10-11(2)16-14(17)9-6-12-4-7-13(15)8-5-12/h4-9,11H,3,10,15H2,1-2H3,(H,16,17)/b9-6+
InChIKeyCQIKFVXHGMBDLJ-RMKNXTFCSA-N
MW248.33 g/mol
LogP1.82
Rot. Bonds6

About (E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide (PubChem CID 113290911) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide
PubChem CID113290911
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide
SMILESCCOCC(C)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-3-18-10-11(2)16-14(17)9-6-12-4-7-13(15)8-5-12/h4-9,11H,3,10,15H2,1-2H3,(H,16,17)/b9-6+
InChIKeyCQIKFVXHGMBDLJ-RMKNXTFCSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
(E)-3-(4-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
CID 115343884
(E)-3-(4-aminophenyl)-N-heptan-2-ylprop-2-enamide
CID 115342931
(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide
CID 82944929
(E)-3-(4-aminophenyl)-N-(2-methylpentan-3-yl)prop-2-enamide
CID 113290901
(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062
methyl (2S)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]propanoate
CID 115343095
(E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
CID 115343629
(E)-3-(4-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 113290988
2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide
CID 103109148
(Z)-N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005655
(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005654

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide (CID 113290911) is (E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide is CCOCC(C)NC(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide?
The InChIKey is CQIKFVXHGMBDLJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-10-11(2)16-14(17)9-6-12-4-7-13(15)8-5-12/h4-9,11H,3,10,15H2,1-2H3,(H,16,17)/b9-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide is sourced from PubChem (CID 113290911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).