(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide

C17H24N2O — CID 115344773

IUPAC(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O/c1-13(15-5-3-2-4-6-15)19-17(20)12-9-14-7-10-16(18)11-8-14/h7-13,15H,2-6,18H2,1H3,(H,19,20)/b12-9+/t13-/m0/s1
InChIKeyMZPWNNYSVMTIRG-SRXBQZRASA-N
MW272.39 g/mol
LogP3.37
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide (PubChem CID 115344773) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide
PubChem CID115344773
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O/c1-13(15-5-3-2-4-6-15)19-17(20)12-9-14-7-10-16(18)11-8-14/h7-13,15H,2-6,18H2,1H3,(H,19,20)/b12-9+/t13-/m0/s1
InChIKeyMZPWNNYSVMTIRG-SRXBQZRASA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide
CID 115342870
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
(E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 9478763
(E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide
CID 81384583
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
methyl (2S)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]propanoate
CID 115343095
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
(E)-3-(4-aminophenyl)-N-(2-methylpentan-3-yl)prop-2-enamide
CID 113290901
(E)-3-(4-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 113290988
3-(4-aminophenyl)-N-[(1R)-1-cyclohexylethyl]butanamide
CID 104502868
3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide
CID 104502552
(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide
CID 83021636

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide (CID 115344773) is (E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide is C[C@H](NC(=O)/C=C/c1ccc(N)cc1)C1CCCCC1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide?
The InChIKey is MZPWNNYSVMTIRG-SRXBQZRASA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(15-5-3-2-4-6-15)19-17(20)12-9-14-7-10-16(18)11-8-14/h7-13,15H,2-6,18H2,1H3,(H,19,20)/b12-9+/t13-/m0/s1.
What are the key properties of (E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide has a molecular weight of 272.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide is sourced from PubChem (CID 115344773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).