(E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide

C18H23N3O2 — CID 7459703

IUPAC(E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide
SMILESCCOc1ccccc1N/C=C(\C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-2-23-17-11-7-6-10-16(17)20-13-14(12-19)18(22)21-15-8-4-3-5-9-15/h6-7,10-11,13,15,20H,2-5,8-9H2,1H3,(H,21,22)/b14-13+
InChIKeyPYAXWBAEXKXZMB-BUHFOSPRSA-N
MW313.40 g/mol
LogP3.35
Rot. Bonds6

About (E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide

(E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide (PubChem CID 7459703) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide
PubChem CID7459703
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide
SMILESCCOc1ccccc1N/C=C(\C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-2-23-17-11-7-6-10-16(17)20-13-14(12-19)18(22)21-15-8-4-3-5-9-15/h6-7,10-11,13,15,20H,2-5,8-9H2,1H3,(H,21,22)/b14-13+
InChIKeyPYAXWBAEXKXZMB-BUHFOSPRSA-N
XLogP3.35
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.35
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

N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
N-(2-ethoxyphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 2956602
N-[2-(2-methoxyanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 4780294
3-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]propanamide
CID 4879638
N-(2-methoxyphenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 16309134
N,N'-bis(2-ethoxyphenyl)succinamide
CID 1294108
2-cyano-N-(2,2-difluoroethyl)-2-(5-((4-(2-(dimethylamino)ethoxy)phenylamino)methylene)-3-ethyl-4-oxothiazolidin-2-ylidene)acetamide
CID 44579006
2-cyano-N-(2-methoxyphenyl)acetamide
CID 693173
Ethyl 2-cyano-3-[2-(trifluoromethoxy)anilino]prop-2-enoate
CID 5238583
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxopyridin-1(2H)-yl]-N-(2-ethoxyphenyl)acetamide
CID 645446
1-allyl-N-(4-ethoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486107
N-(2-propoxyphenyl)-2-butenediamide
CID 1556906

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide (CID 7459703) is (E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide is CCOc1ccccc1N/C=C(\C#N)C(=O)NC1CCCCC1.
What is the InChIKey of (E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide?
The InChIKey is PYAXWBAEXKXZMB-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-23-17-11-7-6-10-16(17)20-13-14(12-19)18(22)21-15-8-4-3-5-9-15/h6-7,10-11,13,15,20H,2-5,8-9H2,1H3,(H,21,22)/b14-13+.
What are the key properties of (E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide?
(E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide has a molecular weight of 313.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclohexyl-3-(2-ethoxyanilino)prop-2-enamide is sourced from PubChem (CID 7459703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).