(E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide

C20H26N4O3 — CID 126009751

IUPAC(E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C20H26N4O3/c1-3-23(4-2)19-11-10-18(24(26)27)13-15(19)12-16(14-21)20(25)22-17-8-6-5-7-9-17/h10-13,17H,3-9H2,1-2H3,(H,22,25)/b16-12+
InChIKeyYFXPKYUCHBZVCS-FOWTUZBSSA-N
MW370.45 g/mol
LogP3.80
Rot. Bonds7

About (E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide

(E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide (PubChem CID 126009751) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide
PubChem CID126009751
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide
SMILESCCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C20H26N4O3/c1-3-23(4-2)19-11-10-18(24(26)27)13-15(19)12-16(14-21)20(25)22-17-8-6-5-7-9-17/h10-13,17H,3-9H2,1-2H3,(H,22,25)/b16-12+
InChIKeyYFXPKYUCHBZVCS-FOWTUZBSSA-N
XLogP3.80
TPSA99.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-N-cyclohexyl-3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enamide
CID 21213871
(Z)-3-[3-bromo-4-(diethylamino)phenyl]-2-cyano-N-cyclopentylprop-2-enamide
CID 126198831
ethyl (E)-2-cyano-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enoate
CID 126003504
(E)-2-cyano-3-[2-(diethylamino)-5-nitrophenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 126005067
2-cyano-N-cyclohexyl-3-[4-(diethylamino)phenyl]prop-2-enamide
CID 3674797
(Z)-2-cyano-N-cyclopentyl-3-[1-(2-methoxy-5-nitrophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide
CID 126202421
(Z)-2-cyano-N-cyclohexyl-3-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enamide
CID 126219069
(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide
CID 19206616
(Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide
CID 108831610
3-[4-[benzyl(ethyl)amino]phenyl]-2-cyano-N-cyclohexylprop-2-enamide
CID 3551166
(Z)-2-cyano-N-cyclopentyl-3-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]prop-2-enamide
CID 126196676
(E)-2-cyano-3-[2-(dimethylamino)-5-nitrophenyl]-N-phenylprop-2-enamide
CID 126004480

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide (CID 126009751) is (E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide is CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NC1CCCCC1.
What is the InChIKey of (E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide?
The InChIKey is YFXPKYUCHBZVCS-FOWTUZBSSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-23(4-2)19-11-10-18(24(26)27)13-15(19)12-16(14-21)20(25)22-17-8-6-5-7-9-17/h10-13,17H,3-9H2,1-2H3,(H,22,25)/b16-12+.
What are the key properties of (E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide?
(E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide has a molecular weight of 370.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclohexyl-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enamide is sourced from PubChem (CID 126009751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).