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

C14H20N2O3 — CID 106161089

IUPAC(E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
SMILESCOCC(CCO)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-19-10-13(8-9-17)16-14(18)7-4-11-2-5-12(15)6-3-11/h2-7,13,17H,8-10,15H2,1H3,(H,16,18)/b7-4+
InChIKeyBKABNKGPPNSRLB-QPJJXVBHSA-N
MW264.32 g/mol
LogP0.80
Rot. Bonds7

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

(E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide (PubChem CID 106161089) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
PubChem CID106161089
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
SMILESCOCC(CCO)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-19-10-13(8-9-17)16-14(18)7-4-11-2-5-12(15)6-3-11/h2-7,13,17H,8-10,15H2,1H3,(H,16,18)/b7-4+
InChIKeyBKABNKGPPNSRLB-QPJJXVBHSA-N
XLogP0.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-4-methoxybutanoic acid
CID 115343969
(E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 103850896
methyl (2S)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]propanoate
CID 115343095
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
2-(4-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 106151936
(E)-3-(5-bromofuran-2-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
CID 103850883
(E)-3-(4-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 113290988
(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide
CID 113290911
(E)-3-(2-ethoxyphenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
CID 103851116
(E)-3-(4-aminophenyl)-N-heptan-2-ylprop-2-enamide
CID 115342931
(E)-3-(4-aminophenyl)-N-(2-methylpentan-3-yl)prop-2-enamide
CID 113290901
(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide
CID 82944929

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide (CID 106161089) is (E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide is COCC(CCO)NC(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide?
The InChIKey is BKABNKGPPNSRLB-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-10-13(8-9-17)16-14(18)7-4-11-2-5-12(15)6-3-11/h2-7,13,17H,8-10,15H2,1H3,(H,16,18)/b7-4+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide has a molecular weight of 264.32 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide is sourced from PubChem (CID 106161089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).