(E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide

C15H18N2O4 — CID 174074658

IUPAC(E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide
SMILESCOC(O)=C(C(N)=O)/C(=C\N)Oc1cccc(C2CC2)c1
InChIInChI=1S/C15H18N2O4/c1-20-15(19)13(14(17)18)12(8-16)21-11-4-2-3-10(7-11)9-5-6-9/h2-4,7-9,19H,5-6,16H2,1H3,(H2,17,18)/b12-8+,15-13?
InChIKeyXWIPJKFXZJGPDU-DFSCBCINSA-N
MW290.32 g/mol
LogP1.64
Rot. Bonds6

About (E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide

(E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide (PubChem CID 174074658) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide.

Molecular Properties

Compound Name(E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide
PubChem CID174074658
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide
SMILESCOC(O)=C(C(N)=O)/C(=C\N)Oc1cccc(C2CC2)c1
InChIInChI=1S/C15H18N2O4/c1-20-15(19)13(14(17)18)12(8-16)21-11-4-2-3-10(7-11)9-5-6-9/h2-4,7-9,19H,5-6,16H2,1H3,(H2,17,18)/b12-8+,15-13?
InChIKeyXWIPJKFXZJGPDU-DFSCBCINSA-N
XLogP1.64
TPSA107.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3-cyclopropylphenyl) carbamate
CID 175067489
[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
CID 69226808
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
(E)-2-amino-3-(3-cyclobutylphenoxy)-3-hydrazinylprop-2-enoic acid
CID 139449180
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
cyclopropylbenzene;ethane;phenyl carbamate
CID 166076294
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-amino-4-(3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145256
4-[3-[(E)-1-bromo-4-methoxy-4-oxobut-2-en-2-yl]oxyphenyl]piperidine-1-carboxylic acid
CID 135262021
methyl 2-chloro-2-(3-cyclopropylphenyl)acetate
CID 79979811
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
1-amino-4-(3-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 82303248

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide?
The IUPAC name of (E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide (CID 174074658) is (E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide.
What is the SMILES notation for (E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide?
The canonical SMILES for (E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide is COC(O)=C(C(N)=O)/C(=C\N)Oc1cccc(C2CC2)c1.
What is the InChIKey of (E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide?
The InChIKey is XWIPJKFXZJGPDU-DFSCBCINSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-15(19)13(14(17)18)12(8-16)21-11-4-2-3-10(7-11)9-5-6-9/h2-4,7-9,19H,5-6,16H2,1H3,(H2,17,18)/b12-8+,15-13?.
What are the key properties of (E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide?
(E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide has a molecular weight of 290.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-3-(3-cyclopropylphenoxy)-2-[hydroxy(methoxy)methylidene]but-3-enamide is sourced from PubChem (CID 174074658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).