(E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide

C16H22N2O2 — CID 115344347

IUPAC(E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)NCC2CCCCC2O)c1
InChIInChI=1S/C16H22N2O2/c17-14-6-3-4-12(10-14)8-9-16(20)18-11-13-5-1-2-7-15(13)19/h3-4,6,8-10,13,15,19H,1-2,5,7,11,17H2,(H,18,20)/b9-8+
InChIKeyBAEVGJOKIJHPCP-CMDGGOBGSA-N
MW274.36 g/mol
LogP1.95
Rot. Bonds4

About (E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide

(E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide (PubChem CID 115344347) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
PubChem CID115344347
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)NCC2CCCCC2O)c1
InChIInChI=1S/C16H22N2O2/c17-14-6-3-4-12(10-14)8-9-16(20)18-11-13-5-1-2-7-15(13)19/h3-4,6,8-10,13,15,19H,1-2,5,7,11,17H2,(H,18,20)/b9-8+
InChIKeyBAEVGJOKIJHPCP-CMDGGOBGSA-N
XLogP1.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3-aminophenyl)-N-[(4-methylcyclohexyl)methyl]prop-2-enamide
CID 115344108
(E)-3-(3-aminophenyl)-N-[(1,1-dioxothiolan-2-yl)methyl]prop-2-enamide
CID 115344693
3-(3-chloro-4-methylphenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
CID 77050308
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77125042
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
(E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 115342655
(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide
CID 115343655
(E)-3-(3-aminophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 115342777
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529
1-[[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445885
(E)-3-(3-aminophenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 115342775

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide (CID 115344347) is (E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide is Nc1cccc(/C=C/C(=O)NCC2CCCCC2O)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide?
The InChIKey is BAEVGJOKIJHPCP-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-14-6-3-4-12(10-14)8-9-16(20)18-11-13-5-1-2-7-15(13)19/h3-4,6,8-10,13,15,19H,1-2,5,7,11,17H2,(H,18,20)/b9-8+.
What are the key properties of (E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide?
(E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide has a molecular weight of 274.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide is sourced from PubChem (CID 115344347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).