(Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide

C15H17N3O3 — CID 108833287

IUPAC(Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H17N3O3/c1-11(19)12-4-3-5-14(8-12)18-10-13(9-16)15(20)17-6-7-21-2/h3-5,8,10,18H,6-7H2,1-2H3,(H,17,20)/b13-10-
InChIKeySMBBHXSVFGMJBP-RAXLEYEMSA-N
MW287.32 g/mol
LogP1.47
Rot. Bonds7

About (Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide

(Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 108833287) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
PubChem CID108833287
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H17N3O3/c1-11(19)12-4-3-5-14(8-12)18-10-13(9-16)15(20)17-6-7-21-2/h3-5,8,10,18H,6-7H2,1-2H3,(H,17,20)/b13-10-
InChIKeySMBBHXSVFGMJBP-RAXLEYEMSA-N
XLogP1.47
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-acetylanilino)-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 108836625
(Z)-3-(3-acetylanilino)-N-benzyl-2-cyanoprop-2-enamide
CID 108842189
(Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide
CID 108833181
(Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-3-ylamino)prop-2-enamide
CID 108833372
(Z)-N-acetyl-3-(3-acetylanilino)-2-cyanoprop-2-enamide
CID 98698649
methyl 3-[[(Z)-3-(3-butoxypropylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate
CID 108837213
(Z)-3-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108835879
(Z)-3-(3-bromoanilino)-2-cyano-N-propylprop-2-enamide
CID 108820383
(Z)-2-cyano-3-(2,3-dimethylanilino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833289
(E)-2-cyano-3-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl]-N-(2-methoxyethyl)prop-2-enamide
CID 2423595
(Z)-3-(3-acetylanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827344
(Z)-N-(2-chloroethyl)-2-cyano-3-(3-methoxyanilino)prop-2-enamide
CID 108854494

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide (CID 108833287) is (Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide is COCCNC(=O)/C(C#N)=C\Nc1cccc(C(C)=O)c1.
What is the InChIKey of (Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is SMBBHXSVFGMJBP-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11(19)12-4-3-5-14(8-12)18-10-13(9-16)15(20)17-6-7-21-2/h3-5,8,10,18H,6-7H2,1-2H3,(H,17,20)/b13-10-.
What are the key properties of (Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide?
(Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 287.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 108833287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).