(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide

C18H18N2O — CID 115343841

IUPAC(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NC2CC2c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c19-15-9-6-13(7-10-15)8-11-18(21)20-17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12,19H2,(H,20,21)/b11-8+
InChIKeyKXOIRBQCRFLMJL-DHZHZOJOSA-N
MW278.36 g/mol
LogP2.95
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide (PubChem CID 115343841) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide
PubChem CID115343841
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NC2CC2c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c19-15-9-6-13(7-10-15)8-11-18(21)20-17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12,19H2,(H,20,21)/b11-8+
InChIKeyKXOIRBQCRFLMJL-DHZHZOJOSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.95
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

LY 188544
CID 126157
4-amino-N-(2-phenylethyl)benzamide
CID 847754
4-Amino-N-(1-methyl-2-phenyl-ethyl)-benzamide
CID 2845137
N-(2-phenylethyl)-N'-[4-(propan-2-yl)phenyl]pentanediamide
CID 3254185
N-[2-(4-Amino-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide
CID 9953161
N-[4-(trans-2-aminocyclopropyl)phenyl]benzamide hydrochloride
CID 46236752
Lsd1-IN-12
CID 46236753
N-[4-(2-aminocyclopropyl)phenyl]benzamide;hydrochloride
CID 46830246
N-[4-(2-aminocyclopropyl)phenyl]benzamide
CID 46830247
Fepratset
CID 165035
1-[(4-Aminophenyl)methyl]-4-hexylpyridin-2-one
CID 121493779
3-(4-nitrophenyl)-N-(2-phenylethyl)acrylamide
CID 674235

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide (CID 115343841) is (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide is Nc1ccc(/C=C/C(=O)NC2CC2c2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide?
The InChIKey is KXOIRBQCRFLMJL-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H18N2O/c19-15-9-6-13(7-10-15)8-11-18(21)20-17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12,19H2,(H,20,21)/b11-8+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide has a molecular weight of 278.36 g/mol, XLogP of 2.95, 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-(2-phenylcyclopropyl)prop-2-enamide is sourced from PubChem (CID 115343841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).