(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide

C18H26N2O — CID 19167042

IUPAC(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCN(C)c1ccc(/C=C\C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-20(2)17-12-9-15(10-13-17)11-14-18(21)19-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H,19,21)/b14-11-
InChIKeyUOKZNLCSARWQDK-KAMYIIQDSA-N
MW286.42 g/mol
LogP3.60
Rot. Bonds4

About (Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide

(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide (PubChem CID 19167042) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
PubChem CID19167042
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCN(C)c1ccc(/C=C\C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-20(2)17-12-9-15(10-13-17)11-14-18(21)19-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H,19,21)/b14-11-
InChIKeyUOKZNLCSARWQDK-KAMYIIQDSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54338045
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880
(E)-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 20613765
(E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexylprop-2-enamide
CID 692702
(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7962251
(E)-N-cyclopropyl-2-[4-(dimethylamino)phenyl]-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 25269094

Frequently Asked Questions

What is the IUPAC name of (Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The IUPAC name of (Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide (CID 19167042) is (Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide is CN(C)c1ccc(/C=C\C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of (Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The InChIKey is UOKZNLCSARWQDK-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H26N2O/c1-20(2)17-12-9-15(10-13-17)11-14-18(21)19-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H,19,21)/b14-11-.
What are the key properties of (Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide?
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide has a molecular weight of 286.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 19167042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).