(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide

C15H15N3O3 — CID 17373323

IUPAC(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide
SMILESN#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H15N3O3/c16-8-11(15(20)18-12-3-4-12)7-10-1-5-13(6-2-10)21-9-14(17)19/h1-2,5-7,12H,3-4,9H2,(H2,17,19)(H,18,20)/b11-7+
InChIKeySCPRNISWTCVUBC-YRNVUSSQSA-N
MW285.30 g/mol
LogP0.74
Rot. Bonds6

About (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide (PubChem CID 17373323) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide
PubChem CID17373323
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide
SMILESN#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)NC1CC1
InChIInChI=1S/C15H15N3O3/c16-8-11(15(20)18-12-3-4-12)7-10-1-5-13(6-2-10)21-9-14(17)19/h1-2,5-7,12H,3-4,9H2,(H2,17,19)(H,18,20)/b11-7+
InChIKeySCPRNISWTCVUBC-YRNVUSSQSA-N
XLogP0.74
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tmppaa
CID 889955
N-cyclohexyl-3-(4-ethoxyphenyl)acrylamide
CID 797113
2-(2-cyanophenoxy)-N-(propan-2-yl)acetamide
CID 2565339
2-cyano-N-cyclopropyl-3-(2,4-diethoxyphenyl)acrylamide
CID 1235950
[2-(cyclopropylamino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 2407203
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4800874
[2-(cycloheptylamino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 24818368
N-ethyl-2-(4-ethylphenoxy)acetamide
CID 3474705
2-(2-cyanophenoxy)-N-cycloheptylacetamide
CID 4798427
3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-(2-methylcyclohexyl)acrylamide
CID 5349945
3-(4-Benzyloxy-phenyl)-2-cyano-N-cyclohexyl-acrylamide
CID 5762489
2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)acrylamide
CID 844493

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide?
The IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide (CID 17373323) is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide is N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)NC1CC1.
What is the InChIKey of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide?
The InChIKey is SCPRNISWTCVUBC-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-8-11(15(20)18-12-3-4-12)7-10-1-5-13(6-2-10)21-9-14(17)19/h1-2,5-7,12H,3-4,9H2,(H2,17,19)(H,18,20)/b11-7+.
What are the key properties of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide?
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide has a molecular weight of 285.30 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide is sourced from PubChem (CID 17373323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).