N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide

C18H26N2O — CID 79116877

IUPACN-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide
SMILESCCCN(C(=O)C=Cc1ccccc1)C1CCC(N)CC1
InChIInChI=1S/C18H26N2O/c1-2-14-20(17-11-9-16(19)10-12-17)18(21)13-8-15-6-4-3-5-7-15/h3-8,13,16-17H,2,9-12,14,19H2,1H3
InChIKeyHIHMFYVBFFZJAX-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.21
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide

N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide (PubChem CID 79116877) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide
PubChem CID79116877
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide
SMILESCCCN(C(=O)C=Cc1ccccc1)C1CCC(N)CC1
InChIInChI=1S/C18H26N2O/c1-2-14-20(17-11-9-16(19)10-12-17)18(21)13-8-15-6-4-3-5-7-15/h3-8,13,16-17H,2,9-12,14,19H2,1H3
InChIKeyHIHMFYVBFFZJAX-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide
CID 77002821
(E)-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 60587560
N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 76870677
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(1-benzoylpiperidin-4-yl)-N-propylprop-2-enamide
CID 56523077
(E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide
CID 60799814
(E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide
CID 82177259
N-(4-aminocyclohexyl)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 79112448
(E)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-3-ylprop-2-enamide
CID 60575625
3-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-propylprop-2-enamide
CID 78789206
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate
CID 61008015
(E)-3-(furan-2-yl)-N-piperidin-4-yl-N-propylprop-2-enamide
CID 60806754
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide (CID 79116877) is N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide is CCCN(C(=O)C=Cc1ccccc1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide?
The InChIKey is HIHMFYVBFFZJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-14-20(17-11-9-16(19)10-12-17)18(21)13-8-15-6-4-3-5-7-15/h3-8,13,16-17H,2,9-12,14,19H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide?
N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide has a molecular weight of 286.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide is sourced from PubChem (CID 79116877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).